# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Mendelev-M-I-Asta-M-Rahman-M-J-Hoyt-J-J--Al-Mg # implementation = 2009--Mendelev-M-I--Al-Mg--LAMMPS--ipr1 # composition = AlMg3 # 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 nan nan nan 1.08 nan nan nan 1.10 7.674114048e+10 nan nan 1.12 4.316494051e+10 nan nan 1.14 2.441128408e+10 nan nan 1.16 1.387502371e+10 nan nan 1.18 7.922853985e+09 nan nan 1.20 4.543049678e+09 7.720471679e+10 nan 1.22 2.614832969e+09 nan nan 1.24 1.510019572e+09 2.699310456e+10 6.835026592e+10 1.26 8.745269949e+08 1.606481318e+10 4.102733414e+10 1.28 5.077269449e+08 9.598257034e+09 2.472769085e+10 1.30 2.953700297e+08 5.755344177e+09 1.496016295e+10 1.32 1.721030424e+08 3.462431749e+09 9.082331645e+09 1.34 1.003911731e+08 2.089239017e+09 5.531381826e+09 1.36 5.859753391e+07 1.264026279e+09 3.378411464e+09 1.38 3.420779208e+07 7.665585967e+08 2.068727052e+09 1.40 1.996223815e+07 4.658097821e+08 1.269642915e+09 1.42 1.163846936e+07 2.835252074e+08 7.807747134e+08 1.44 6.775484145e+06 1.727963687e+08 4.809612613e+08 1.46 3.936379177e+06 1.054080836e+08 2.966943673e+08 1.48 2.280983554e+06 6.433488875e+07 1.832330066e+08 1.50 1.317537872e+06 3.927260852e+07 1.132596269e+08 1.52 7.581437540e+05 2.396866319e+07 7.004876151e+07 1.54 4.343068824e+05 1.462014983e+07 4.333639746e+07 1.56 2.475035493e+05 8.909504274e+06 2.681044038e+07 1.58 1.402029194e+05 5.422278101e+06 1.658139347e+07 1.60 7.887485636e+04 3.294258472e+06 1.024853562e+07 1.62 4.402508074e+04 1.997037532e+06 6.328128689e+06 1.64 2.435406326e+04 1.207406571e+06 3.902138454e+06 1.66 1.333635325e+04 7.276553698e+05 2.402013758e+06 1.68 7.220038272e+03 4.368655984e+05 1.475414337e+06 1.70 3.859154421e+03 2.611221007e+05 9.039078055e+05 1.72 2.033881456e+03 1.552804624e+05 5.520660277e+05 1.74 1.055833200e+03 9.180224801e+04 3.359522968e+05 1.76 5.397882751e+02 5.391647772e+04 2.035749398e+05 1.78 2.722775053e+02 3.143185302e+04 1.227578159e+05 1.80 1.363557660e+02 1.817280486e+04 7.361162804e+04 1.82 6.881525724e+01 1.041039418e+04 4.386130301e+04 1.84 3.603330965e+01 5.902868189e+03 2.594707942e+04 1.86 2.046170961e+01 3.309418339e+03 1.522538703e+04 1.88 1.314834879e+01 1.832727959e+03 8.853033224e+03 1.90 9.651758168e+00 1.001788622e+03 5.095767490e+03 1.92 7.843519589e+00 5.404417340e+02 2.900450485e+03 1.94 6.748209620e+00 2.881568929e+02 1.630939526e+03 1.96 5.943993448e+00 1.525348170e+02 9.053682956e+02 1.98 5.262157642e+00 8.099645375e+01 4.961588171e+02 2.00 4.642516199e+00 4.401846743e+01 2.688130004e+02 2.02 4.066801492e+00 2.528045899e+01 1.446110054e+02 2.04 3.530763970e+00 1.592674798e+01 7.799832184e+01 2.06 3.033855213e+00 1.125889253e+01 4.296242825e+01 2.08 2.575657502e+00 8.851046391e+00 2.488080905e+01 2.10 2.154426371e+00 7.492394790e+00 1.568389482e+01 2.12 1.767389140e+00 6.602350803e+00 1.101430779e+01 2.14 1.412855807e+00 5.915738309e+00 8.578246474e+00 2.16 1.090152519e+00 5.319284872e+00 7.205129076e+00 2.18 7.972417037e-01 4.769013350e+00 6.320652060e+00 2.20 5.301782251e-01 4.250093424e+00 5.656736662e+00 2.22 2.851686410e-01 3.758890669e+00 5.095724936e+00 2.24 5.943724087e-02 3.294863107e+00 4.589726332e+00 2.26 -1.487977214e-01 2.857564443e+00 4.120692318e+00 2.28 -3.407164257e-01 2.447178222e+00 3.681877318e+00 2.30 -5.171724250e-01 2.062309115e+00 3.270212080e+00 2.32 -6.788181178e-01 1.701449320e+00 2.883977631e+00 2.34 -8.262358205e-01 1.363288990e+00 2.521795289e+00 2.36 -9.600660854e-01 1.046757735e+00 2.182267625e+00 2.38 -1.081095195e+00 7.512139851e-01 1.864026775e+00 2.40 -1.190314940e+00 4.761298873e-01 1.565859109e+00 2.42 -1.288933786e+00 2.217622236e-01 1.287582110e+00 2.44 -1.378265925e+00 -1.162085514e-02 1.028557457e+00 2.46 -1.459569796e+00 -2.246050964e-01 7.867323583e-01 2.48 -1.533965518e+00 -4.179682664e-01 5.599266215e-01 2.50 -1.602199189e+00 -5.926684997e-01 3.461071985e-01 2.52 -1.664614404e+00 -7.496762079e-01 1.435788358e-01 2.54 -1.721249127e+00 -8.900012058e-01 -4.894179407e-02 2.56 -1.772012826e+00 -1.014897808e+00 -2.322999213e-01 2.58 -1.816801688e+00 -1.125879830e+00 -4.069685755e-01 2.60 -1.855463507e+00 -1.224688252e+00 -5.731449372e-01 2.62 -1.887468812e+00 -1.312323976e+00 -7.295116990e-01 2.64 -1.912448413e+00 -1.389968965e+00 -8.750319556e-01 2.66 -1.930525418e+00 -1.459477740e+00 -1.010041797e+00 2.68 -1.941958431e+00 -1.522222936e+00 -1.134748279e+00 2.70 -1.947237976e+00 -1.579199961e+00 -1.249387004e+00 2.72 -1.947036807e+00 -1.631127295e+00 -1.354187194e+00 2.74 -1.942048347e+00 -1.678475415e+00 -1.449255553e+00 2.76 -1.932910845e+00 -1.721503266e+00 -1.534713241e+00 2.78 -1.920215084e+00 -1.760321118e+00 -1.610822046e+00 2.80 -1.904525020e+00 -1.794965827e+00 -1.678039813e+00 2.82 -1.886328827e+00 -1.825477046e+00 -1.736978880e+00 2.84 -1.866075982e+00 -1.851912223e+00 -1.788250647e+00 2.86 -1.844184574e+00 -1.874355650e+00 -1.832275058e+00 2.88 -1.821033621e+00 -1.892964579e+00 -1.869392945e+00 2.90 -1.796955438e+00 -1.907985099e+00 -1.900005722e+00 2.92 -1.772230210e+00 -1.919728693e+00 -1.924580447e+00 2.94 -1.747084876e+00 -1.928599712e+00 -1.943645781e+00 2.96 -1.721697895e+00 -1.935111054e+00 -1.957786987e+00 2.98 -1.696210863e+00 -1.939665670e+00 -1.967641234e+00 3.00 -1.670748018e+00 -1.942438842e+00 -1.973892894e+00 3.02 -1.645438795e+00 -1.943413665e+00 -1.977257034e+00 3.04 -1.620390679e+00 -1.942438434e+00 -1.978352351e+00 3.06 -1.595633201e+00 -1.939241698e+00 -1.977590016e+00 3.08 -1.571108870e+00 -1.933541006e+00 -1.975177272e+00 3.10 -1.546708764e+00 -1.925115020e+00 -1.971153400e+00 3.12 -1.522309280e+00 -1.913846985e+00 -1.965451045e+00 3.14 -1.497763152e+00 -1.899763093e+00 -1.957937571e+00 3.16 -1.472871474e+00 -1.883027746e+00 -1.948453363e+00 3.18 -1.447495321e+00 -1.863805992e+00 -1.936851341e+00 3.20 -1.421604700e+00 -1.842231989e+00 -1.923037698e+00 3.22 -1.395275914e+00 -1.818452130e+00 -1.907013713e+00 3.24 -1.368638556e+00 -1.792639860e+00 -1.888918043e+00 3.26 -1.341753389e+00 -1.764981775e+00 -1.869035571e+00 3.28 -1.314604809e+00 -1.735677355e+00 -1.847687877e+00 3.30 -1.287128031e+00 -1.704957652e+00 -1.825190778e+00 3.32 -1.259251794e+00 -1.673088838e+00 -1.801856750e+00 3.34 -1.230922183e+00 -1.640365480e+00 -1.777978795e+00 3.36 -1.202100965e+00 -1.607100173e+00 -1.753795345e+00 3.38 -1.172757138e+00 -1.573610988e+00 -1.729454109e+00 3.40 -1.142881537e+00 -1.540207285e+00 -1.705057284e+00 3.42 -1.112498653e+00 -1.507174685e+00 -1.680702495e+00 3.44 -1.081664971e+00 -1.474759869e+00 -1.656476453e+00 3.46 -1.050465046e+00 -1.443155768e+00 -1.632452544e+00 3.48 -1.019006383e+00 -1.412487561e+00 -1.608692206e+00 3.50 -9.874137061e-01 -1.382799942e+00 -1.585179321e+00 3.52 -9.558230799e-01 -1.354049442e+00 -1.561730324e+00 3.54 -9.243762546e-01 -1.326135407e+00 -1.538060038e+00 3.56 -8.932155287e-01 -1.298938006e+00 -1.513867655e+00 3.58 -8.624793261e-01 -1.272325896e+00 -1.488867981e+00 3.60 -8.322985875e-01 -1.246163356e+00 -1.462813173e+00 3.62 -8.027940152e-01 -1.220320063e+00 -1.435510218e+00 3.64 -7.740740605e-01 -1.194683147e+00 -1.406834412e+00 3.66 -7.462335379e-01 -1.169171044e+00 -1.376739013e+00 3.68 -7.193525564e-01 -1.143748496e+00 -1.345260825e+00 3.70 -6.934954834e-01 -1.118428318e+00 -1.312521564e+00 3.72 -6.687089592e-01 -1.093219001e+00 -1.278722663e+00 3.74 -6.450136308e-01 -1.068096173e+00 -1.244113924e+00 3.76 -6.223931745e-01 -1.043003605e+00 -1.208952011e+00 3.78 -6.007921139e-01 -1.017867265e+00 -1.173481073e+00 3.80 -5.801326961e-01 -9.926239024e-01 -1.137941456e+00 3.82 -5.603271180e-01 -9.672389401e-01 -1.102570331e+00 3.84 -5.412843551e-01 -9.417137011e-01 -1.067594995e+00 3.86 -5.229168457e-01 -9.160865128e-01 -1.033226650e+00 3.88 -5.051464657e-01 -8.904270300e-01 -9.996549899e-01 3.90 -4.879093633e-01 -8.648228159e-01 -9.670437300e-01 3.92 -4.711594555e-01 -8.393571618e-01 -9.355271818e-01 3.94 -4.548699162e-01 -8.140840214e-01 -9.052079723e-01 3.96 -4.390312871e-01 -7.890424561e-01 -8.761559586e-01 3.98 -4.236467321e-01 -7.642765967e-01 -8.484083515e-01 4.00 -4.087221205e-01 -7.398330138e-01 -8.219710151e-01 4.02 -3.942513706e-01 -7.157605140e-01 -7.968209183e-01 4.04 -3.802092179e-01 -6.921116132e-01 -7.729096743e-01 4.06 -3.665677696e-01 -6.689405776e-01 -7.501680435e-01 4.08 -3.533050008e-01 -6.463010570e-01 -7.285112402e-01 4.10 -3.404029008e-01 -6.242437884e-01 -7.078448463e-01 4.12 -3.278475146e-01 -6.028144921e-01 -6.880711424e-01 4.14 -3.156263913e-01 -5.820520050e-01 -6.690955770e-01 4.16 -3.037270773e-01 -5.619869188e-01 -6.508330813e-01 4.18 -2.921325555e-01 -5.426404290e-01 -6.332139364e-01 4.20 -2.808266674e-01 -5.240236796e-01 -6.161888312e-01 4.22 -2.697917204e-01 -5.061374816e-01 -5.997327126e-01 4.24 -2.590163720e-01 -4.889725637e-01 -5.838469467e-01 4.26 -2.484937626e-01 -4.725099071e-01 -5.685586472e-01 4.28 -2.382090176e-01 -4.567218997e-01 -5.539051541e-01 4.30 -2.281607248e-01 -4.415734749e-01 -5.399124684e-01 4.32 -2.183537549e-01 -4.270238487e-01 -5.265864593e-01 4.34 -2.087622412e-01 -4.130281476e-01 -5.139016277e-01 4.36 -1.993088214e-01 -3.995396660e-01 -5.017960944e-01 4.38 -1.901065101e-01 -3.865118176e-01 -4.901955000e-01 4.40 -1.812508237e-01 -3.739001739e-01 -4.790246552e-01 4.42 -1.728090654e-01 -3.616646474e-01 -4.682103466e-01 4.44 -1.648766883e-01 -3.497711326e-01 -4.576828388e-01 4.46 -1.574073031e-01 -3.381925449e-01 -4.473772876e-01 4.48 -1.501335758e-01 -3.269106683e-01 -4.372349406e-01 4.50 -1.428873524e-01 -3.159145257e-01 -4.272034797e-01 4.52 -1.355779356e-01 -3.052022664e-01 -4.172374531e-01 4.54 -1.281708377e-01 -2.947762993e-01 -4.072984218e-01 4.56 -1.206658726e-01 -2.846430797e-01 -3.973541947e-01 4.58 -1.130737060e-01 -2.748085985e-01 -3.873787609e-01 4.60 -1.054356642e-01 -2.652680150e-01 -3.773515078e-01 4.62 -9.791568068e-02 -2.560070955e-01 -3.672551273e-01 4.64 -9.064960634e-02 -2.470081802e-01 -3.570793844e-01 4.66 -8.373074157e-02 -2.382497764e-01 -3.468162723e-01 4.68 -7.721555304e-02 -2.297070743e-01 -3.364647197e-01 4.70 -7.102298447e-02 -2.213651070e-01 -3.260289198e-01 4.72 -6.517229512e-02 -2.132112544e-01 -3.155115379e-01 4.74 -5.973125599e-02 -2.052115616e-01 -3.049234237e-01 4.76 -5.474393002e-02 -1.972791473e-01 -2.942794652e-01 4.78 -5.023580304e-02 -1.894691805e-01 -2.835858441e-01 4.80 -4.621809428e-02 -1.818379745e-01 -2.728568911e-01 4.82 -4.269190802e-02 -1.744267591e-01 -2.621151772e-01 4.84 -3.965199306e-02 -1.672641801e-01 -2.513817207e-01 4.86 -3.709285823e-02 -1.604207406e-01 -2.405990722e-01 4.88 -3.510404405e-02 -1.538613172e-01 -2.297923634e-01 4.90 -3.361340949e-02 -1.474261437e-01 -2.190649405e-01 4.92 -3.249005329e-02 -1.410078070e-01 -2.084920443e-01 4.94 -3.163123401e-02 -1.345339732e-01 -1.981306826e-01 4.96 -3.095040667e-02 -1.279616548e-01 -1.880571799e-01 4.98 -3.037679686e-02 -1.212816517e-01 -1.782951537e-01 5.00 -2.985631205e-02 -1.145024630e-01 -1.686563366e-01 5.02 -2.935277132e-02 -1.076448764e-01 -1.590043363e-01 5.04 -2.884466695e-02 -1.007178898e-01 -1.492632979e-01 5.06 -2.831364987e-02 -9.376812560e-02 -1.394009021e-01 5.08 -2.774158356e-02 -8.681410552e-02 -1.294177260e-01 5.10 -2.711105073e-02 -7.997780492e-02 -1.193374104e-01 5.12 -2.640579155e-02 -7.336330532e-02 -1.091832885e-01 5.14 -2.561112787e-02 -6.705150858e-02 -9.899791966e-02 5.16 -2.471423441e-02 -6.110513896e-02 -8.892408294e-02 5.18 -2.367923260e-02 -5.557294903e-02 -7.908973998e-02 5.20 -2.251123021e-02 -5.049247057e-02 -6.959574007e-02 5.22 -2.124430613e-02 -4.586775565e-02 -6.052111214e-02 5.24 -1.990550135e-02 -4.178830147e-02 -5.190618778e-02 5.26 -1.851652747e-02 -3.821066798e-02 -4.368752884e-02 5.28 -1.709516279e-02 -3.503555122e-02 -3.593666394e-02 5.30 -1.565637502e-02 -3.218118095e-02 -2.872904977e-02 5.32 -1.421321188e-02 -2.958072602e-02 -2.211766558e-02 5.34 -1.277753958e-02 -2.717991721e-02 -1.613620577e-02 5.36 -1.136061218e-02 -2.493498111e-02 -1.080387448e-02 5.38 -9.973433869e-03 -2.281098634e-02 -6.128031762e-03 5.40 -8.626687144e-03 -2.078044626e-02 -2.106172481e-03 5.42 -7.330219508e-03 -1.883869332e-02 1.271918165e-03 5.44 -6.092943896e-03 -1.697879044e-02 3.937201774e-03 5.46 -4.922826628e-03 -1.515382439e-02 5.949749262e-03 5.48 -3.826840406e-03 -1.332656948e-02 7.460685906e-03 5.50 -2.810894771e-03 -1.146652044e-02 8.595383452e-03 5.52 -1.879755593e-03 -9.534324815e-03 9.456519260e-03 5.54 -1.036963809e-03 -7.545833874e-03 1.012656880e-02 5.56 -2.847623842e-04 -5.527405293e-03 1.066976705e-02 5.58 3.759608773e-04 -3.503681490e-03 1.113357120e-02 5.60 9.457082190e-04 -1.499132248e-03 1.154965411e-02 5.62 1.426379335e-03 4.608395224e-04 1.193503154e-02 5.64 1.821247285e-03 2.352739094e-03 1.229865472e-02 5.66 2.134900084e-03 4.158180025e-03 1.264814603e-02 5.68 2.373146330e-03 5.863504217e-03 1.299082325e-02 5.70 2.542884301e-03 7.459121011e-03 1.333400969e-02 5.72 2.651935155e-03 8.938924964e-03 1.368521307e-02 5.74 2.708841906e-03 1.030531244e-02 1.406692356e-02 5.76 2.722636992e-03 1.155958786e-02 1.449705782e-02 5.78 2.702582286e-03 1.268947173e-02 1.494138007e-02 5.80 2.657886507e-03 1.368692330e-02 1.537318663e-02 5.82 2.597406028e-03 1.454775427e-02 1.577374428e-02 5.84 2.529336107e-03 1.527091319e-02 1.613063231e-02 5.86 2.460900639e-03 1.585782042e-02 1.643623959e-02 5.88 2.398049525e-03 1.631174401e-02 1.668639887e-02 5.90 2.345173790e-03 1.663720810e-02 1.687914246e-02 5.92 2.304849590e-03 1.683942669e-02 1.701356479e-02 5.94 2.277623261e-03 1.692375634e-02 1.708877889e-02 5.96 2.261850552e-03 1.689516248e-02 1.710295508e-02 5.98 2.253604200e-03 1.675769469e-02 1.705243121e-02 6.00 2.246664975e-03 1.651396728e-02 1.693088492e-02