# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Li3Na # 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 2.749343915e+02 nan nan 1.08 nan nan nan 1.10 2.384738125e+02 nan nan 1.12 2.222968703e+02 nan nan 1.14 2.073269383e+02 nan nan 1.16 1.934639659e+02 nan nan 1.18 1.806120823e+02 nan nan 1.20 1.686900872e+02 2.382944774e+02 nan 1.22 1.576177079e+02 2.234066750e+02 2.494453149e+02 1.24 1.473271500e+02 2.095437607e+02 2.342091477e+02 1.26 1.377505356e+02 1.966225268e+02 2.200031625e+02 1.28 1.288362202e+02 1.845712488e+02 2.067449043e+02 1.30 1.205325418e+02 1.733232352e+02 1.943641068e+02 1.32 1.127889879e+02 1.628183247e+02 1.827924574e+02 1.34 1.055644796e+02 1.529988648e+02 1.719686618e+02 1.36 9.882104606e+01 1.438160886e+02 1.618387125e+02 1.38 9.252176450e+01 1.352200239e+02 1.523495043e+02 1.40 8.663618054e+01 1.271699668e+02 1.434541722e+02 1.42 8.113462032e+01 1.196223175e+02 1.351117092e+02 1.44 7.598839819e+01 1.125449496e+02 1.272813852e+02 1.46 7.117265898e+01 1.059045960e+02 1.199273474e+02 1.48 6.666491155e+01 9.966875100e+01 1.130177824e+02 1.50 6.244422309e+01 9.381084939e+01 1.065231326e+02 1.52 5.849005085e+01 8.830438414e+01 1.004153491e+02 1.54 5.478464117e+01 8.312632223e+01 9.466764056e+01 1.56 5.131061388e+01 7.825686416e+01 8.925879892e+01 1.58 4.805376574e+01 7.367589587e+01 8.416531852e+01 1.60 4.499910050e+01 6.936420408e+01 7.936901082e+01 1.62 4.213193129e+01 6.530547979e+01 7.485070779e+01 1.64 3.944076995e+01 6.148469855e+01 7.059249478e+01 1.66 3.691278279e+01 5.788665819e+01 6.657945001e+01 1.68 3.453822246e+01 5.449757624e+01 6.279589422e+01 1.70 3.230722750e+01 5.130622904e+01 5.922598461e+01 1.72 3.021073105e+01 4.830022475e+01 5.585917238e+01 1.74 2.823931038e+01 4.546795988e+01 5.268215536e+01 1.76 2.638578409e+01 4.279784813e+01 4.968175191e+01 1.78 2.464290418e+01 4.027948056e+01 4.684946256e+01 1.80 2.300320937e+01 3.790392393e+01 4.417508542e+01 1.82 2.146101165e+01 3.566257776e+01 4.164874840e+01 1.84 2.001045361e+01 3.354678047e+01 3.926069096e+01 1.86 1.864596604e+01 3.154858906e+01 3.700315841e+01 1.88 1.736166327e+01 2.966121576e+01 3.486819929e+01 1.90 1.615359774e+01 2.787793153e+01 3.284822782e+01 1.92 1.501751804e+01 2.619213383e+01 3.093647396e+01 1.94 1.394921366e+01 2.459776009e+01 2.912669373e+01 1.96 1.294463190e+01 2.308924778e+01 2.741377373e+01 1.98 1.199932245e+01 2.166148631e+01 2.579213269e+01 2.00 1.111110612e+01 2.030972360e+01 2.425661808e+01 2.02 1.027673746e+01 1.902962350e+01 2.280224663e+01 2.04 9.492905991e+00 1.781680970e+01 2.142408948e+01 2.06 8.757093792e+00 1.666862396e+01 2.011890161e+01 2.08 8.066392765e+00 1.558169556e+01 1.888297947e+01 2.10 7.418480142e+00 1.455239709e+01 1.771207230e+01 2.12 6.810878341e+00 1.357847746e+01 1.660339601e+01 2.14 6.241212965e+00 1.265739357e+01 1.555387649e+01 2.16 5.706885309e+00 1.178587485e+01 1.456022558e+01 2.18 5.206395435e+00 1.096277401e+01 1.361983069e+01 2.20 4.737733182e+00 1.018583378e+01 1.272993486e+01 2.22 4.298626510e+00 9.452927040e+00 1.188793777e+01 2.24 3.887540645e+00 8.762031283e+00 1.109138263e+01 2.26 3.503094352e+00 8.111207381e+00 1.033794563e+01 2.28 3.143663947e+00 7.498582718e+00 9.625427418e+00 2.30 2.807649841e+00 6.922181423e+00 8.950828656e+00 2.32 2.493712599e+00 6.380402010e+00 8.313024954e+00 2.34 2.199912529e+00 5.871543573e+00 7.710540915e+00 2.36 1.925705689e+00 5.393368366e+00 7.141531804e+00 2.38 1.669980807e+00 4.944813264e+00 6.603498566e+00 2.40 1.431577039e+00 4.524300778e+00 6.095644858e+00 2.42 1.209408063e+00 4.129713735e+00 5.616602654e+00 2.44 1.002454759e+00 3.759612809e+00 5.164867801e+00 2.46 8.097587683e-01 3.413048022e+00 4.739028410e+00 2.48 6.304169455e-01 3.088564465e+00 4.337593836e+00 2.50 4.635767067e-01 2.784372261e+00 3.959390159e+00 2.52 3.084322162e-01 2.499428184e+00 3.603376366e+00 2.54 1.642213480e-01 2.232552931e+00 3.268403426e+00 2.56 3.022332275e-02 1.982499316e+00 2.953377511e+00 2.58 -9.425391073e-02 1.748101789e+00 2.657254197e+00 2.60 -2.101039024e-01 1.528274700e+00 2.379033659e+00 2.62 -3.175966539e-01 1.322002073e+00 2.117756798e+00 2.64 -4.173180211e-01 1.128165922e+00 1.872494699e+00 2.66 -5.098148422e-01 9.461535384e-01 1.642321784e+00 2.68 -5.955962806e-01 7.751614851e-01 1.426449345e+00 2.70 -6.751349376e-01 6.144538084e-01 1.224054789e+00 2.72 -7.490706117e-01 4.633575342e-01 1.033943573e+00 2.74 -8.178373769e-01 3.212581564e-01 8.557467545e-01 2.76 -8.816439947e-01 1.875950166e-01 6.888744837e-01 2.78 -9.406131092e-01 6.185665829e-02 5.326116969e-01 2.80 -9.950859091e-01 -5.642909984e-02 3.862198701e-01 2.82 -1.045369650e+00 -1.677174772e-01 2.487925287e-01 2.84 -1.091740438e+00 -2.723546450e-01 1.201594236e-01 2.86 -1.134445974e+00 -3.707019269e-01 -2.669091897e-04 2.88 -1.173708241e+00 -4.630920628e-01 -1.130338154e-01 2.90 -1.209726101e+00 -5.498326684e-01 -2.186497929e-01 2.92 -1.242677764e+00 -6.312093367e-01 -3.175858598e-01 2.94 -1.272723142e+00 -7.074883714e-01 -4.102770322e-01 2.96 -1.300006032e+00 -7.789191555e-01 -4.971239190e-01 2.98 -1.324656156e+00 -8.457361650e-01 -5.784944304e-01 3.00 -1.346791023e+00 -9.081606516e-01 -6.547255955e-01 3.02 -1.366517621e+00 -9.664020197e-01 -7.261254761e-01 3.04 -1.384077174e+00 -1.020786245e+00 -7.932616140e-01 3.06 -1.399419759e+00 -1.071377420e+00 -8.561095970e-01 3.08 -1.412590376e+00 -1.118320527e+00 -9.148248736e-01 3.10 -1.423674504e+00 -1.161792622e+00 -9.696338598e-01 3.12 -1.432752008e+00 -1.201961443e+00 -1.020741988e+00 3.14 -1.439898071e+00 -1.239066317e+00 -1.068336033e+00 3.16 -1.445184003e+00 -1.273226338e+00 -1.112586336e+00 3.18 -1.448677928e+00 -1.304938449e+00 -1.153648913e+00 3.20 -1.450445360e+00 -1.333808569e+00 -1.191667406e+00 3.22 -1.450549694e+00 -1.359986189e+00 -1.226774884e+00 3.24 -1.449233889e+00 -1.383609561e+00 -1.259131915e+00 3.26 -1.446643567e+00 -1.404806727e+00 -1.288845344e+00 3.28 -1.442469800e+00 -1.423944118e+00 -1.315983284e+00 3.30 -1.436788999e+00 -1.440934315e+00 -1.340653918e+00 3.32 -1.429674042e+00 -1.455757638e+00 -1.362960651e+00 3.34 -1.421194733e+00 -1.468521583e+00 -1.383002911e+00 3.36 -1.411418218e+00 -1.479324859e+00 -1.400876777e+00 3.38 -1.400409344e+00 -1.488258299e+00 -1.416675463e+00 3.40 -1.388230965e+00 -1.495405722e+00 -1.430489671e+00 3.42 -1.374944210e+00 -1.500844748e+00 -1.442407816e+00 3.44 -1.360608701e+00 -1.504647551e+00 -1.452516155e+00 3.46 -1.345282742e+00 -1.506881557e+00 -1.460898837e+00 3.48 -1.329115409e+00 -1.507610083e+00 -1.467637878e+00 3.50 -1.312127391e+00 -1.506892913e+00 -1.472984821e+00 3.52 -1.294284308e+00 -1.504786820e+00 -1.477060820e+00 3.54 -1.275646101e+00 -1.501346025e+00 -1.479644414e+00 3.56 -1.256270997e+00 -1.496622604e+00 -1.480821506e+00 3.58 -1.236215644e+00 -1.490666843e+00 -1.480673392e+00 3.60 -1.215535209e+00 -1.483527540e+00 -1.479276837e+00 3.62 -1.194283460e+00 -1.475252266e+00 -1.476853959e+00 3.64 -1.172512831e+00 -1.465887575e+00 -1.473466924e+00 3.66 -1.150274458e+00 -1.455479188e+00 -1.468973094e+00 3.68 -1.127618217e+00 -1.444072130e+00 -1.463442501e+00 3.70 -1.104592728e+00 -1.431710843e+00 -1.456939700e+00 3.72 -1.081245366e+00 -1.418681042e+00 -1.449524088e+00 3.74 -1.057643971e+00 -1.404796077e+00 -1.441250219e+00 3.76 -1.033827586e+00 -1.390036235e+00 -1.432168126e+00 3.78 -1.009815761e+00 -1.374452339e+00 -1.422323640e+00 3.80 -9.856520903e-01 -1.358093751e+00 -1.411758708e+00 3.82 -9.613786255e-01 -1.341008483e+00 -1.400511706e+00 3.84 -9.370358680e-01 -1.323243292e+00 -1.388617748e+00 3.86 -9.126627602e-01 -1.304843757e+00 -1.376108985e+00 3.88 -8.882966751e-01 -1.285854347e+00 -1.363014898e+00 3.90 -8.639734079e-01 -1.266318470e+00 -1.349362579e+00 3.92 -8.397271674e-01 -1.246278513e+00 -1.335177004e+00 3.94 -8.155905705e-01 -1.225775872e+00 -1.320481289e+00 3.96 -7.915946386e-01 -1.204862294e+00 -1.305296939e+00 3.98 -7.677687980e-01 -1.183612379e+00 -1.289644079e+00 4.00 -7.441408834e-01 -1.162006658e+00 -1.273541676e+00 4.02 -7.207371461e-01 -1.140084522e+00 -1.257007736e+00 4.04 -6.975822654e-01 -1.117884166e+00 -1.240059504e+00 4.06 -6.746993650e-01 -1.095442612e+00 -1.222713629e+00 4.08 -6.521100335e-01 -1.072795718e+00 -1.204986334e+00 4.10 -6.298343488e-01 -1.049978199e+00 -1.186893556e+00 4.12 -6.078909063e-01 -1.027023627e+00 -1.168451080e+00 4.14 -5.862968511e-01 -1.003964445e+00 -1.149674655e+00 4.16 -5.650679128e-01 -9.808319696e-01 -1.130580104e+00 4.18 -5.442184439e-01 -9.576563974e-01 -1.111183408e+00 4.20 -5.237614602e-01 -9.344668073e-01 -1.091500789e+00 4.22 -5.037086827e-01 -9.112911663e-01 -1.071548776e+00 4.24 -4.840705822e-01 -8.881563340e-01 -1.051344254e+00 4.26 -4.648564236e-01 -8.650880679e-01 -1.030904515e+00 4.28 -4.460743117e-01 -8.421110302e-01 -1.010266582e+00 4.30 -4.277312369e-01 -8.192487963e-01 -9.895386188e-01 4.32 -4.098331207e-01 -7.965238637e-01 -9.686080369e-01 4.34 -3.923848604e-01 -7.739576639e-01 -9.474969281e-01 4.36 -3.753903735e-01 -7.515705752e-01 -9.262275114e-01 4.38 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-5.423303427e-01 4.74 -1.380557375e-01 -3.802792878e-01 -5.223609257e-01 4.76 -1.297834164e-01 -3.643046301e-01 -5.026738648e-01 4.78 -1.218848234e-01 -3.487295759e-01 -4.832876537e-01 4.80 -1.143509541e-01 -3.335565995e-01 -4.642199457e-01 4.82 -1.071725450e-01 -3.187875885e-01 -4.454875007e-01 4.84 -1.003401025e-01 -3.044238569e-01 -4.271061378e-01 4.86 -9.384393133e-02 -2.904661566e-01 -4.090906892e-01 4.88 -8.767416411e-02 -2.769146892e-01 -3.914549606e-01 4.90 -8.182079060e-02 -2.637691161e-01 -3.742116939e-01 4.92 -7.627368695e-02 -2.510285695e-01 -3.573725366e-01 4.94 -7.103079984e-02 -2.386916619e-01 -3.409480152e-01 4.96 -6.621858215e-02 -2.267564967e-01 -3.249475143e-01 4.98 -6.165896643e-02 -2.152206781e-01 -3.093792615e-01 5.00 -5.734455639e-02 -2.040813219e-01 -2.942503173e-01 5.02 -5.326748878e-02 -1.933350665e-01 -2.795665712e-01 5.04 -4.941971219e-02 -1.829780846e-01 -2.653327435e-01 5.06 -4.579303143e-02 -1.730060955e-01 -2.515523922e-01 5.08 -4.237915017e-02 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-1.527149093e-02 5.80 -9.297614614e-04 -9.098698696e-03 -1.364804804e-02 5.82 -8.031346322e-04 -8.104723880e-03 -1.215708582e-02 5.84 -6.883115793e-04 -7.193330569e-03 -1.078999585e-02 5.86 -5.843931546e-04 -6.359024631e-03 -9.538536947e-03 5.88 -4.905313680e-04 -5.596558240e-03 -8.394837360e-03 5.90 -4.059281912e-04 -4.900930021e-03 -7.351395031e-03 5.92 -3.298342051e-04 -4.267383932e-03 -6.401075898e-03 5.94 -2.615471119e-04 -3.691407002e-03 -5.537110503e-03 5.96 -2.004101348e-04 -3.168726018e-03 -4.753089027e-03 5.98 -1.458103253e-04 -2.695303281e-03 -4.042954921e-03 6.00 -9.717679980e-05 -2.267331524e-03 -3.400997286e-03