# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Purja-Pun-G-P-Mishin-Y--Ni-Al # implementation = 2009--Purja-Pun-G-P--Ni-Al--LAMMPS--ipr1 # composition = Al # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 2.589639510e+02 nan 0.80 nan nan nan nan nan nan nan nan 2.372791764e+02 nan 0.82 nan nan nan nan nan nan nan nan 2.176015542e+02 nan 0.84 nan nan nan nan nan 1.685433484e+02 nan nan 1.996757256e+02 nan 0.86 nan nan nan nan nan 1.547934618e+02 nan nan 1.833197454e+02 nan 0.88 nan nan nan nan nan 1.423594632e+02 nan nan 1.684286582e+02 nan 0.90 nan nan nan nan nan 1.311020059e+02 nan nan 1.549099303e+02 nan 0.92 nan nan nan nan nan 1.208837339e+02 nan nan 1.425682676e+02 nan 0.94 nan nan nan nan nan 1.115534117e+02 nan nan 1.312521676e+02 nan 0.96 nan 1.740158766e+02 nan 2.619890056e+02 2.619667527e+02 1.029899179e+02 nan nan 1.208907803e+02 1.742396210e+02 0.98 nan 1.613137537e+02 nan 2.438908877e+02 2.438610766e+02 9.505068012e+01 1.643659561e+02 nan 1.114137355e+02 1.613390529e+02 1.00 nan 1.496126031e+02 nan 2.272918664e+02 2.272559108e+02 8.765026950e+01 1.523466324e+02 nan 1.027525409e+02 1.494570444e+02 1.02 nan 1.387919707e+02 nan 2.119771210e+02 2.119317246e+02 8.081678280e+01 1.412464111e+02 nan 9.486100513e+01 1.385141131e+02 1.04 nan 1.287642042e+02 nan 1.978111869e+02 1.977549813e+02 7.453225600e+01 1.309753640e+02 nan 8.769559251e+01 1.284430269e+02 1.06 nan 1.194880025e+02 nan 1.847093959e+02 1.846531831e+02 6.871154461e+01 1.214714378e+02 nan 8.117719391e+01 1.191452403e+02 1.08 1.727073228e+02 1.109091822e+02 1.558439146e+02 1.725876417e+02 1.725582334e+02 6.328475509e+01 1.126839112e+02 1.606083482e+02 7.520421336e+01 1.105621973e+02 1.10 1.613744967e+02 1.029457801e+02 1.454664087e+02 1.613389382e+02 1.613520269e+02 5.821096458e+01 1.045406926e+02 1.498909119e+02 6.969520223e+01 1.027007965e+02 1.12 1.507692962e+02 9.554686854e+01 1.357178621e+02 1.508551368e+02 1.509050633e+02 5.345656524e+01 9.700757618e+01 1.399218460e+02 6.459037490e+01 9.553307556e+01 1.14 1.409039800e+02 8.867661114e+01 1.266063847e+02 1.410790728e+02 1.411576262e+02 4.899335357e+01 9.006815238e+01 1.306744660e+02 5.983030373e+01 8.895053737e+01 1.16 1.317729519e+02 8.229566417e+01 1.181056494e+02 1.319714776e+02 1.320691989e+02 4.480490153e+01 8.368959972e+01 1.221022364e+02 5.535766057e+01 8.288545451e+01 1.18 1.233150991e+02 7.636336867e+01 1.101659628e+02 1.234700721e+02 1.235656029e+02 4.087339206e+01 7.783013867e+01 1.141380023e+02 5.114245067e+01 7.733218022e+01 1.20 1.154434979e+02 7.085759456e+01 1.027681934e+02 1.155000495e+02 1.155700948e+02 3.719387445e+01 7.246528210e+01 1.066941074e+02 4.716698799e+01 7.222987856e+01 1.22 1.080752258e+02 6.575245438e+01 9.588264842e+01 1.080219653e+02 1.080543155e+02 3.376503942e+01 6.757478716e+01 9.969399193e+01 4.341481389e+01 6.748065433e+01 1.24 1.011355915e+02 6.100708362e+01 8.946412261e+01 1.010231641e+02 1.010188404e+02 3.056920324e+01 6.310439420e+01 9.309809487e+01 3.987467277e+01 6.299859284e+01 1.26 9.458572166e+01 5.658198795e+01 8.348342441e+01 9.447974831e+01 9.444814869e+01 2.757734868e+01 5.896570825e+01 8.690381356e+01 3.653065469e+01 5.873586977e+01 1.28 8.841197415e+01 5.245971511e+01 7.789882309e+01 8.835387486e+01 8.831254957e+01 2.476095183e+01 5.507899265e+01 8.111377475e+01 3.336885510e+01 5.468366166e+01 1.30 8.261186791e+01 4.865112162e+01 7.265351320e+01 8.261383904e+01 8.258155186e+01 2.210120893e+01 5.139829513e+01 7.571520137e+01 3.038627404e+01 5.084964101e+01 1.32 7.719006569e+01 4.514968146e+01 6.772261983e+01 7.724070771e+01 7.722445299e+01 1.959035973e+01 4.790577840e+01 7.069418840e+01 2.758654130e+01 4.722563347e+01 1.34 7.214990135e+01 4.192657836e+01 6.313397045e+01 7.221894718e+01 7.221098449e+01 1.724474717e+01 4.459200942e+01 6.603657245e+01 2.496982345e+01 4.378724357e+01 1.36 6.748004769e+01 3.895074782e+01 5.891996051e+01 6.753157621e+01 6.752088693e+01 1.514303428e+01 4.144656469e+01 6.172137824e+01 2.252863168e+01 4.051247829e+01 1.38 6.316260358e+01 3.617981819e+01 5.506848393e+01 6.316702972e+01 6.314730971e+01 1.330919196e+01 3.845367421e+01 5.772220295e+01 2.024460698e+01 3.739464101e+01 1.40 5.916025074e+01 3.357178633e+01 5.153479068e+01 5.911324340e+01 5.908353243e+01 1.170903799e+01 3.559336672e+01 5.400607023e+01 1.809273492e+01 3.443852700e+01 1.42 5.542574603e+01 3.110849642e+01 4.827613716e+01 5.534605351e+01 5.530775439e+01 1.030142657e+01 3.285562332e+01 5.054166674e+01 1.609884824e+01 3.165284520e+01 1.44 5.193104626e+01 2.878820389e+01 4.526267281e+01 5.183755556e+01 5.178975992e+01 9.054826132e+00 3.024068294e+01 4.730429992e+01 1.430086374e+01 2.904444599e+01 1.46 4.865614816e+01 2.660230624e+01 4.246214378e+01 4.855891421e+01 4.849999275e+01 7.949075308e+00 2.775215044e+01 4.427202199e+01 1.268312267e+01 2.660442614e+01 1.48 4.557852970e+01 2.453377455e+01 3.982725321e+01 4.548485190e+01 4.541792979e+01 6.964692918e+00 2.539423158e+01 4.142247937e+01 1.123260846e+01 2.430712519e+01 1.50 4.267888217e+01 2.257215348e+01 3.731608047e+01 4.259882727e+01 4.253420966e+01 6.082403393e+00 2.316483399e+01 3.873577547e+01 9.937172238e+00 2.212417266e+01 1.52 3.994901521e+01 2.071441791e+01 3.490682181e+01 3.989198554e+01 3.984214814e+01 5.286112333e+00 2.105188145e+01 3.619871660e+01 8.779299949e+00 2.003443493e+01 1.54 3.738802868e+01 1.895231305e+01 3.259900197e+01 3.735639203e+01 3.732944043e+01 4.565555383e+00 1.904138566e+01 3.380075514e+01 7.736683204e+00 1.803355900e+01 1.56 3.498286680e+01 1.726828189e+01 3.040171674e+01 3.497745922e+01 3.497624881e+01 3.915641376e+00 1.713170465e+01 3.152766822e+01 6.791929805e+00 1.617103236e+01 1.58 3.270645434e+01 1.569815308e+01 2.831690540e+01 3.273326918e+01 3.275737095e+01 3.333822902e+00 1.538615340e+01 2.936402776e+01 5.934698527e+00 1.449973659e+01 1.60 3.052921301e+01 1.424680385e+01 2.633184364e+01 3.059796348e+01 3.064590481e+01 2.816829564e+00 1.381348357e+01 2.729814598e+01 5.157299475e+00 1.301116213e+01 1.62 2.843776934e+01 1.291263613e+01 2.442833193e+01 2.855129915e+01 2.862026101e+01 2.360480056e+00 1.240191949e+01 2.532616669e+01 4.451447588e+00 1.168454311e+01 1.64 2.643983058e+01 1.169153627e+01 2.259132406e+01 2.658429757e+01 2.666905474e+01 1.959806084e+00 1.113534560e+01 2.344950397e+01 3.809003975e+00 1.049437292e+01 1.66 2.454730616e+01 1.057110701e+01 2.080869459e+01 2.469549165e+01 2.478860981e+01 1.607281289e+00 9.998270025e+00 2.166554575e+01 3.223686905e+00 9.418172623e+00 1.68 2.275598505e+01 9.534480861e+00 1.907316086e+01 2.288162231e+01 2.297501797e+01 1.293883252e+00 8.975839774e+00 1.996632928e+01 2.691002692e+00 8.438045615e+00 1.70 2.105181375e+01 8.569246241e+00 1.739130808e+01 2.114051760e+01 2.122684043e+01 1.012767723e+00 8.054507850e+00 1.834358745e+01 2.206665537e+00 7.541727503e+00 1.72 1.942220420e+01 7.671242627e+00 1.583008392e+01 1.947199983e+01 1.954541092e+01 7.616569597e-01 7.222634017e+00 1.680353849e+01 1.766635099e+00 6.719107045e+00 1.74 1.785962703e+01 6.841167731e+00 1.441718397e+01 1.787589413e+01 1.793244336e+01 5.407944220e-01 6.468717482e+00 1.538814650e+01 1.367439197e+00 5.961174429e+00 1.76 1.638664962e+01 6.079600390e+00 1.314467305e+01 1.637629916e+01 1.641182328e+01 3.495381293e-01 5.778832666e+00 1.409315285e+01 1.006065551e+00 5.262492880e+00 1.78 1.503552834e+01 5.382691779e+00 1.199293039e+01 1.500537811e+01 1.501917887e+01 1.847445339e-01 5.138745887e+00 1.290704361e+01 6.789501918e-01 4.620834365e+00 1.80 1.379691303e+01 4.742145036e+00 1.094184933e+01 1.375062571e+01 1.374235438e+01 4.260386560e-02 4.538505864e+00 1.181589843e+01 3.823561160e-01 4.033955527e+00 1.82 1.265888022e+01 4.147702520e+00 9.978292445e+00 1.259938547e+01 1.256961594e+01 -7.989571808e-02 3.973589271e+00 1.080603970e+01 1.141556183e-01 3.497197186e+00 1.84 1.160807372e+01 3.589911854e+00 9.093419036e+00 1.154078958e+01 1.149233529e+01 -1.854620106e-01 3.442567904e+00 9.867055424e+00 -1.267764450e-01 3.003982800e+00 1.86 1.063276397e+01 3.062551920e+00 8.276521209e+00 1.056511879e+01 1.050294055e+01 -2.773847706e-01 2.944508718e+00 8.992965311e+00 -3.420137857e-01 2.548918324e+00 1.88 9.725221592e+00 2.563353124e+00 7.516519789e+00 9.664154906e+00 9.594766908e+00 -3.588434324e-01 2.478012074e+00 8.179954578e+00 -5.343002710e-01 2.129290285e+00 1.90 8.879351785e+00 2.092238387e+00 6.804136376e+00 8.830268680e+00 8.761321741e+00 -4.329257919e-01 2.041465954e+00 7.423806587e+00 -7.070267756e-01 1.743104858e+00 1.92 8.088973203e+00 1.649453058e+00 6.132585202e+00 8.055658783e+00 7.994758723e+00 -5.055173860e-01 1.633267534e+00 6.719681199e+00 -8.631157190e-01 1.387519113e+00 1.94 7.349563412e+00 1.235262670e+00 5.497645480e+00 7.333319356e+00 7.285975243e+00 -5.836225088e-01 1.251704133e+00 6.063430816e+00 -1.004722134e+00 1.059824376e+00 1.96 6.658966145e+00 8.488982138e-01 4.897750364e+00 6.657816203e+00 6.626272034e+00 -6.723651831e-01 8.948530676e-01 5.451873334e+00 -1.132961981e+00 7.587083007e-01 1.98 6.016133160e+00 4.880434456e-01 4.332927634e+00 6.025284137e+00 6.008998368e+00 -7.723254596e-01 5.611046047e-01 4.881636191e+00 -1.248517103e+00 4.838983854e-01 2.00 5.419525774e+00 1.492387146e-01 3.801773791e+00 5.432845693e+00 5.429538294e+00 -8.774966741e-01 2.496290752e-01 4.348688858e+00 -1.351903141e+00 2.344657132e-01 2.02 4.865263581e+00 -1.701138897e-01 3.300784992e+00 4.877982701e+00 4.884910481e+00 -9.826244773e-01 -3.979408970e-02 3.847748681e+00 -1.444102136e+00 8.160842517e-03 2.04 4.346988251e+00 -4.717594842e-01 2.825996894e+00 4.357530528e+00 4.372420105e+00 -1.083717658e+00 -3.071090219e-01 3.372463233e+00 -1.528146575e+00 -1.984685977e-01 2.06 3.857676866e+00 -7.563758028e-01 2.375291286e+00 3.867268932e+00 3.888486928e+00 -1.178272459e+00 -5.524104992e-01 2.917614319e+00 -1.607527333e+00 -3.884865066e-01 2.08 3.392257843e+00 -1.023841002e+00 1.948643163e+00 3.403110325e+00 3.429318824e+00 -1.265710851e+00 -7.763610761e-01 2.479974778e+00 -1.685504764e+00 -5.634741472e-01 2.10 2.947501237e+00 -1.273363220e+00 1.547337623e+00 2.961297547e+00 2.991221705e+00 -1.345300686e+00 -9.801208706e-01 2.058266005e+00 -1.765029548e+00 -7.240938783e-01 2.12 2.520579999e+00 -1.504127577e+00 1.171009569e+00 2.538002056e+00 2.570406069e+00 -1.417184225e+00 -1.165357147e+00 1.652068497e+00 -1.847438818e+00 -8.714659121e-01 2.14 2.108260642e+00 -1.715516553e+00 8.170286902e-01 2.129524742e+00 2.163420012e+00 -1.482907086e+00 -1.333808694e+00 1.261714638e+00 -1.931102204e+00 -1.007884944e+00 2.16 1.708602995e+00 -1.906920029e+00 4.820420328e-01 1.733849201e+00 1.768453410e+00 -1.544565866e+00 -1.486989018e+00 8.887163775e-01 -2.013859893e+00 -1.135320486e+00 2.18 1.322060220e+00 -2.078457504e+00 1.627787298e-01 1.351231737e+00 1.385644120e+00 -1.604127523e+00 -1.626180445e+00 5.347227034e-01 -2.093303808e+00 -1.255026789e+00 2.20 9.505746230e-01 -2.230925107e+00 -1.430778354e-01 9.829892924e-01 1.015994104e+00 -1.662953523e+00 -1.752525942e+00 2.009488330e-01 -2.167147769e+00 -1.367880761e+00 2.22 5.970655729e-01 -2.365753221e+00 -4.366531355e-01 6.309125804e-01 6.609973274e-01 -1.721789379e+00 -1.866921524e+00 -1.120976240e-01 -2.233904001e+00 -1.474505139e+00 2.24 2.643231210e-01 -2.485091155e+00 -7.180685906e-01 2.966262855e-01 3.221391164e-01 -1.781006761e+00 -1.970355693e+00 -4.046846375e-01 -2.293791574e+00 -1.576339458e+00 2.26 -4.638050478e-02 -2.591498277e+00 -9.866710788e-01 -1.905882547e-02 4.458207460e-04 -1.840938340e+00 -2.064587663e+00 -6.779403165e-01 -2.347774296e+00 -1.675588588e+00 2.28 -3.358475938e-01 -2.687385873e+00 -1.241151596e+00 -3.163627873e-01 -3.037527988e-01 -1.901712831e+00 -2.151276860e+00 -9.332361121e-01 -2.397017834e+00 -1.774292064e+00 2.30 -6.062572200e-01 -2.774504455e+00 -1.479550910e+00 -5.960917189e-01 -5.905598108e-01 -1.962758139e+00 -2.231601140e+00 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