# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2000--Landa-A-Wynblatt-P-Siegel-D-J-et-al--Al-Pb # implementation = 2000--Landa-A--Al-Pb--LAMMPS--ipr1 # composition = AlPb3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 3.438569664e+03 nan nan 0.92 3.209341727e+03 nan nan 0.94 2.998836128e+03 nan nan 0.96 2.808406719e+03 nan nan 0.98 2.634437930e+03 nan nan 1.00 2.473244899e+03 3.248690703e+03 nan 1.02 2.323116222e+03 3.051134219e+03 3.333395544e+03 1.04 2.183396099e+03 2.870030561e+03 3.134892747e+03 1.06 2.052746379e+03 2.705055022e+03 2.954219101e+03 1.08 1.928448549e+03 2.552161243e+03 2.787164528e+03 1.10 1.812581779e+03 2.410498463e+03 2.631557510e+03 1.12 1.706043691e+03 2.277934757e+03 2.485300019e+03 1.14 1.609671776e+03 2.152400358e+03 2.346935623e+03 1.16 1.520328467e+03 2.033353252e+03 2.217861744e+03 1.18 1.437869660e+03 1.920440173e+03 2.097436274e+03 1.20 1.362793747e+03 1.813577965e+03 1.985496825e+03 1.22 1.292713442e+03 1.714509180e+03 1.881910928e+03 1.24 1.227101547e+03 1.624567686e+03 1.786217972e+03 1.26 1.164454983e+03 1.542994516e+03 1.697945532e+03 1.28 1.104384347e+03 1.468237396e+03 1.616150903e+03 1.30 1.047405390e+03 1.397684233e+03 1.539482318e+03 1.32 9.938822381e+02 1.331270605e+03 1.466946743e+03 1.34 9.434642961e+02 1.269215118e+03 1.398096839e+03 1.36 8.958758283e+02 1.209536655e+03 1.331821599e+03 1.38 8.514544947e+02 1.152246767e+03 1.268361158e+03 1.40 8.102983412e+02 1.097160628e+03 1.207974565e+03 1.42 7.711607733e+02 1.044363504e+03 1.150670960e+03 1.44 7.333813520e+02 9.943906733e+02 1.095968250e+03 1.46 6.973989863e+02 9.473213004e+02 1.043186969e+03 1.48 6.638031943e+02 9.025137148e+02 9.927444218e+02 1.50 6.331230423e+02 8.599709419e+02 9.453076953e+02 1.52 6.045310155e+02 8.197583996e+02 9.017129766e+02 1.54 5.773129163e+02 7.813437477e+02 8.618937301e+02 1.56 5.511997597e+02 7.451689777e+02 8.240927217e+02 1.58 5.260908066e+02 7.118247695e+02 7.887037788e+02 1.60 5.019328538e+02 6.816989113e+02 7.555998101e+02 1.62 4.786950572e+02 6.541584057e+02 7.238497913e+02 1.64 4.561668813e+02 6.278950522e+02 6.933840589e+02 1.66 4.339547988e+02 6.027477647e+02 6.644972867e+02 1.68 4.122397571e+02 5.786593937e+02 6.370160737e+02 1.70 3.911847348e+02 5.553770437e+02 6.106974293e+02 1.72 3.708558813e+02 5.324037779e+02 5.856537566e+02 1.74 3.514222222e+02 5.096822790e+02 5.619921974e+02 1.76 3.331855021e+02 4.874552845e+02 5.393989360e+02 1.78 3.164358228e+02 4.659821707e+02 5.174851066e+02 1.80 3.011232505e+02 4.454417988e+02 4.964316624e+02 1.82 2.867662699e+02 4.259814591e+02 4.764064393e+02 1.84 2.734588554e+02 4.077241208e+02 4.575240107e+02 1.86 2.609187643e+02 3.901347181e+02 4.391326611e+02 1.88 2.490243503e+02 3.730604398e+02 4.211997690e+02 1.90 2.378005233e+02 3.565477162e+02 4.038457919e+02 1.92 2.272876442e+02 3.406713747e+02 3.870433641e+02 1.94 2.175640992e+02 3.256173172e+02 3.708250882e+02 1.96 2.086063541e+02 3.112591146e+02 3.551722346e+02 1.98 2.001507393e+02 2.971144401e+02 3.399939941e+02 2.00 1.922342426e+02 2.832260972e+02 3.253728755e+02 2.02 1.848241231e+02 2.696632710e+02 3.114287919e+02 2.04 1.774897980e+02 2.565291661e+02 2.983409620e+02 2.06 1.701706679e+02 2.439775161e+02 2.862859623e+02 2.08 1.628738409e+02 2.321453114e+02 2.753957440e+02 2.10 1.556065175e+02 2.211470930e+02 2.651984460e+02 2.12 1.483733414e+02 2.111023822e+02 2.551765597e+02 2.14 1.411636890e+02 2.020913984e+02 2.453484423e+02 2.16 1.339842981e+02 1.938587652e+02 2.356472533e+02 2.18 1.268472494e+02 1.863784931e+02 2.260430872e+02 2.20 1.197678335e+02 1.795656096e+02 2.165397080e+02 2.22 1.128094381e+02 1.730247217e+02 2.072288047e+02 2.24 1.060231570e+02 1.667178113e+02 1.981788652e+02 2.26 9.944357377e+01 1.606184976e+02 1.893853503e+02 2.28 9.311693455e+01 1.546741420e+02 1.807208611e+02 2.30 8.708741424e+01 1.488671438e+02 1.722085617e+02 2.32 8.138381454e+01 1.431914326e+02 1.638883047e+02 2.34 7.602910908e+01 1.376445503e+02 1.558100149e+02 2.36 7.099522915e+01 1.322253606e+02 1.480245687e+02 2.38 6.613478611e+01 1.269331588e+02 1.405824262e+02 2.40 6.143873792e+01 1.217071756e+02 1.335190896e+02 2.42 5.690901825e+01 1.164384143e+02 1.268510418e+02 2.44 5.254849858e+01 1.111137398e+02 1.205931492e+02 2.46 4.836849696e+01 1.057262887e+02 1.147633061e+02 2.48 4.430367076e+01 1.002953763e+02 1.092495720e+02 2.50 4.022868615e+01 9.483290901e+01 1.038656933e+02 2.52 3.613932310e+01 8.934190224e+01 9.861549724e+01 2.54 3.203385048e+01 8.382553947e+01 9.349472678e+01 2.56 2.791299371e+01 7.828643559e+01 8.848323630e+01 2.58 2.377922640e+01 7.275756866e+01 8.358883125e+01 2.60 1.963670781e+01 6.731670320e+01 7.881949662e+01 2.62 1.549016033e+01 6.198767832e+01 7.418190845e+01 2.64 1.137502206e+01 5.679180880e+01 6.968271216e+01 2.66 7.729993937e+00 5.175007021e+01 6.532855627e+01 2.68 4.905815500e+00 4.688276728e+01 6.112640193e+01 2.70 2.773006406e+00 4.221036983e+01 5.708572021e+01 2.72 1.205754221e+00 3.775882941e+01 5.321793364e+01 2.74 8.659528738e-02 3.355584120e+01 4.953487141e+01 2.76 -6.911355989e-01 2.961939275e+01 4.602746157e+01 2.78 -1.228452373e+00 2.589454016e+01 4.252290685e+01 2.80 -1.587185415e+00 2.238444644e+01 3.897833880e+01 2.82 -1.815235981e+00 1.911043122e+01 3.538949827e+01 2.84 -1.952121220e+00 1.608882733e+01 3.175417796e+01 2.86 -2.029054744e+00 1.333102239e+01 2.812607422e+01 2.88 -2.069520913e+00 1.089407830e+01 2.453670310e+01 2.90 -2.090209184e+00 8.668047401e+00 2.099707717e+01 2.92 -2.101763894e+00 6.705310205e+00 1.751847631e+01 2.94 -2.109372927e+00 5.000640397e+00 1.411192594e+01 2.96 -2.113909095e+00 3.533821148e+00 1.079137130e+01 2.98 -2.115083250e+00 2.274566061e+00 7.866068082e+00 3.00 -2.112857452e+00 1.208072885e+00 5.493290841e+00 3.02 -2.107431238e+00 3.257565734e-01 3.600506412e+00 3.04 -2.099191967e+00 -3.771502207e-01 2.116846811e+00 3.06 -2.088620955e+00 -9.221384738e-01 9.748649339e-01 3.08 -2.075782015e+00 -1.332313728e+00 1.123315009e-01 3.10 -2.060986438e+00 -1.630645344e+00 -5.268227468e-01 3.12 -2.044130085e+00 -1.839314241e+00 -9.920081896e-01 3.14 -2.025554545e+00 -1.978925526e+00 -1.325083868e+00 3.16 -2.005472409e+00 -2.068015128e+00 -1.560104971e+00 3.18 -1.984239736e+00 -2.122594036e+00 -1.724047941e+00 3.20 -1.962315281e+00 -2.153422805e+00 -1.848453405e+00 3.22 -1.940182316e+00 -2.167499870e+00 -1.947935669e+00 3.24 -1.918327923e+00 -2.170984265e+00 -2.025613435e+00 3.26 -1.897222273e+00 -2.168235517e+00 -2.084468330e+00 3.28 -1.877265818e+00 -2.160277787e+00 -2.127992004e+00 3.30 -1.858809154e+00 -2.148212496e+00 -2.159028399e+00 3.32 -1.841963291e+00 -2.133616850e+00 -2.179688924e+00 3.34 -1.826664976e+00 -2.118140856e+00 -2.192009512e+00 3.36 -1.812815166e+00 -2.103243318e+00 -2.197997731e+00 3.38 -1.800275657e+00 -2.089513724e+00 -2.199680740e+00 3.40 -1.788852555e+00 -2.074825514e+00 -2.198420234e+00 3.42 -1.778282664e+00 -2.058936858e+00 -2.193764461e+00 3.44 -1.768217904e+00 -2.042026087e+00 -2.185093243e+00 3.46 -1.758217365e+00 -2.024285008e+00 -2.171963305e+00 3.48 -1.747954761e+00 -2.005843233e+00 -2.154140419e+00 3.50 -1.737340343e+00 -1.986869344e+00 -2.131875451e+00 3.52 -1.726297983e+00 -1.967652340e+00 -2.105651374e+00 3.54 -1.714738494e+00 -1.948475025e+00 -2.076137447e+00 3.56 -1.702561822e+00 -1.929600518e+00 -2.044197720e+00 3.58 -1.689658931e+00 -1.911255014e+00 -2.010852355e+00 3.60 -1.675914594e+00 -1.893593226e+00 -1.977232433e+00 3.62 -1.661277442e+00 -1.876657749e+00 -1.944516804e+00 3.64 -1.645807457e+00 -1.860383130e+00 -1.913788508e+00 3.66 -1.629572852e+00 -1.844652957e+00 -1.885383185e+00 3.68 -1.612640858e+00 -1.829330208e+00 -1.859257099e+00 3.70 -1.595042145e+00 -1.814323332e+00 -1.835314925e+00 3.72 -1.576743288e+00 -1.799516268e+00 -1.813362677e+00 3.74 -1.557707584e+00 -1.784789889e+00 -1.793207630e+00 3.76 -1.537901928e+00 -1.770031676e+00 -1.774673591e+00 3.78 -1.517296309e+00 -1.755136410e+00 -1.757601700e+00 3.80 -1.495863161e+00 -1.740013854e+00 -1.741851757e+00 3.82 -1.473577233e+00 -1.724604820e+00 -1.727302211e+00 3.84 -1.450414951e+00 -1.708863277e+00 -1.713845086e+00 3.86 -1.426354019e+00 -1.692751663e+00 -1.701385088e+00 3.88 -1.401372588e+00 -1.676260119e+00 -1.689874854e+00 3.90 -1.375448303e+00 -1.659407728e+00 -1.679196251e+00 3.92 -1.348564750e+00 -1.642217994e+00 -1.668372483e+00 3.94 -1.320744101e+00 -1.624717968e+00 -1.657195038e+00 3.96 -1.292021445e+00 -1.606937130e+00 -1.645668449e+00 3.98 -1.262428033e+00 -1.588906401e+00 -1.633801282e+00 4.00 -1.231988866e+00 -1.570656925e+00 -1.621600678e+00 4.02 -1.200804378e+00 -1.552219369e+00 -1.609009457e+00 4.04 -1.169273510e+00 -1.533647918e+00 -1.596044087e+00 4.06 -1.137546106e+00 -1.515054166e+00 -1.582830779e+00 4.08 -1.105730563e+00 -1.496554603e+00 -1.569504947e+00 4.10 -1.073937227e+00 -1.478225093e+00 -1.556189091e+00 4.12 -1.042279877e+00 -1.460073549e+00 -1.542986479e+00 4.14 -1.010872815e+00 -1.442059760e+00 -1.529936774e+00 4.16 -9.798360729e-01 -1.424102021e+00 -1.517020436e+00 4.18 -9.492993829e-01 -1.406094889e+00 -1.504185747e+00 4.20 -9.193924954e-01 -1.387906198e+00 -1.491343727e+00 4.22 -8.902368733e-01 -1.369372905e+00 -1.478361723e+00 4.24 -8.618615577e-01 -1.350299210e+00 -1.465062856e+00 4.26 -8.342532157e-01 -1.330555476e+00 -1.451336083e+00 4.28 -8.074305467e-01 -1.310284399e+00 -1.437170087e+00 4.30 -7.814264942e-01 -1.289505608e+00 -1.422557939e+00 4.32 -7.563271898e-01 -1.268182158e+00 -1.407492266e+00 4.34 -7.322624157e-01 -1.246280401e+00 -1.391965144e+00 4.36 -7.093829352e-01 -1.223770448e+00 -1.375967951e+00 4.38 -6.878585171e-01 -1.200634472e+00 -1.359496157e+00 4.40 -6.678939226e-01 -1.176905801e+00 -1.342573021e+00 4.42 -6.498633160e-01 -1.152661813e+00 -1.325233270e+00 4.44 -6.340032519e-01 -1.127984491e+00 -1.307510810e+00 4.46 -6.204536793e-01 -1.102958886e+00 -1.289438694e+00 4.48 -6.089585405e-01 -1.077679734e+00 -1.271049018e+00 4.50 -5.988846713e-01 -1.052249233e+00 -1.252372835e+00 4.52 -5.882093259e-01 -1.026772270e+00 -1.233440064e+00 4.54 -5.759562213e-01 -1.001355503e+00 -1.214279211e+00 4.56 -5.617518718e-01 -9.761176960e-01 -1.194917685e+00 4.58 -5.453021833e-01 -9.512022189e-01 -1.175382192e+00 4.60 -5.264016504e-01 -9.267593485e-01 -1.155700368e+00 4.62 -5.049565608e-01 -9.029342810e-01 -1.135898834e+00 4.64 -4.810356742e-01 -8.798691677e-01 -1.116004436e+00 4.66 -4.548390786e-01 -8.577072023e-01 -1.096049772e+00 4.68 -4.266535606e-01 -8.365885340e-01 -1.076068731e+00 4.70 -3.968476817e-01 -8.166470023e-01 -1.056094171e+00 4.72 -3.658658713e-01 -7.980030505e-01 -1.036147780e+00 4.74 -3.342201578e-01 -7.807223577e-01 -1.016177056e+00 4.76 -3.024793636e-01 -7.648447334e-01 -9.960920582e-01 4.78 -2.712561861e-01 -7.500814005e-01 -9.758015594e-01 4.80 -2.411925991e-01 -7.355950040e-01 -9.552127899e-01 4.82 -2.129445310e-01 -7.212970250e-01 -9.342568972e-01 4.84 -1.871159796e-01 -7.070372092e-01 -9.128940276e-01 4.86 -1.641983692e-01 -6.925691257e-01 -8.910953487e-01 4.88 -1.450965694e-01 -6.777344334e-01 -8.688409941e-01 4.90 -1.302973406e-01 -6.623549643e-01 -8.461147299e-01 4.92 -1.200572708e-01 -6.462347763e-01 -8.229975145e-01 4.94 -1.126857461e-01 -6.294660971e-01 -7.999292806e-01 4.96 -1.057233885e-01 -6.119693243e-01 -7.770555975e-01 4.98 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-2.151306051e-01 5.34 -1.285503897e-02 -1.223205744e-01 -1.789471004e-01 5.36 -1.001992955e-02 -9.837127999e-02 -1.447246974e-01 5.38 -7.505028706e-03 -7.644212170e-02 -1.130367028e-01 5.40 -5.326670561e-03 -5.673532974e-02 -8.444290969e-02 5.42 -3.500249684e-03 -3.963869846e-02 -5.937714269e-02 5.44 -2.040500557e-03 -2.560015213e-02 -3.843465707e-02 5.46 -9.617909153e-04 -1.488487749e-02 -2.234786221e-02 5.48 -2.783875216e-04 -7.651671757e-03 -1.148103871e-02 5.50 -9.320177964e-06 -4.057276402e-03 -6.085971903e-03 5.52 -5.830482346e-07 -2.823217023e-03 -4.234828362e-03 5.54 0.000000000e+00 -1.870126204e-03 -2.805189307e-03 5.56 0.000000000e+00 -1.155993754e-03 -1.733990631e-03 5.58 0.000000000e+00 -6.855509558e-04 -1.028326434e-03 5.60 0.000000000e+00 -3.516020740e-04 -5.274031111e-04 5.62 0.000000000e+00 -1.243078337e-04 -1.864617506e-04 5.64 0.000000000e+00 -1.143161168e-05 -1.714741753e-05 5.66 0.000000000e+00 1.528743738e-07 2.293115607e-07 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00