# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MoPd3 # 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 2024-04-11 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 nan nan nan 1.12 nan nan nan 1.14 3.883337063e+02 nan nan 1.16 3.578597912e+02 nan nan 1.18 3.298130336e+02 nan nan 1.20 3.039740659e+02 nan nan 1.22 2.801457770e+02 nan nan 1.24 2.581531940e+02 nan nan 1.26 2.378423954e+02 nan nan 1.28 2.190785326e+02 3.375575136e+02 3.857760066e+02 1.30 2.017426180e+02 3.131065937e+02 3.584755308e+02 1.32 1.857266506e+02 2.904078880e+02 3.331378266e+02 1.34 1.709287096e+02 2.693324329e+02 3.096183282e+02 1.36 1.572505830e+02 2.497647817e+02 2.877814274e+02 1.38 1.445984635e+02 2.315987368e+02 2.674974836e+02 1.40 1.328848673e+02 2.147342135e+02 2.486429332e+02 1.42 1.220299095e+02 1.990752878e+02 2.311019018e+02 1.44 1.119615851e+02 1.845295577e+02 2.147677683e+02 1.46 1.026156543e+02 1.710088782e+02 1.995441603e+02 1.48 9.393545868e+01 1.584307344e+02 1.853452720e+02 1.50 8.587138817e+01 1.467191859e+02 1.720955052e+02 1.52 7.837974164e+01 1.358050352e+02 1.597284119e+02 1.54 7.142118431e+01 1.256255622e+02 1.481848815e+02 1.56 6.495927832e+01 1.161241373e+02 1.374109163e+02 1.58 5.896147284e+01 1.072497341e+02 1.273557399e+02 1.60 5.342779727e+01 9.895627388e+01 1.179707188e+02 1.62 4.835163199e+01 9.120185047e+01 1.092090161e+02 1.64 4.369367941e+01 8.394805351e+01 1.010256972e+02 1.66 3.941820856e+01 7.715961843e+01 9.337809126e+01 1.68 3.549320488e+01 7.080437747e+01 8.622622527e+01 1.70 3.189010719e+01 6.485329012e+01 7.953311745e+01 1.72 2.858327089e+01 5.928197906e+01 7.326482847e+01 1.74 2.554936690e+01 5.408354369e+01 6.739035144e+01 1.76 2.276689834e+01 4.927272523e+01 6.188327454e+01 1.78 2.021592911e+01 4.482756425e+01 5.671961096e+01 1.80 1.787802491e+01 4.072349123e+01 5.190690590e+01 1.82 1.573631718e+01 3.693742340e+01 4.743978909e+01 1.84 1.377554528e+01 3.344745695e+01 4.329409203e+01 1.86 1.198196934e+01 3.023262441e+01 3.944736467e+01 1.88 1.034314801e+01 2.727278619e+01 3.587879180e+01 1.90 8.847652074e+00 2.454866223e+01 3.256924808e+01 1.92 7.484797519e+00 2.204195799e+01 2.950132250e+01 1.94 6.244455103e+00 1.973551634e+01 2.665920381e+01 1.96 5.116958300e+00 1.761343353e+01 2.402842248e+01 1.98 4.093097988e+00 1.566109939e+01 2.159551894e+01 2.00 3.164167984e+00 1.386515053e+01 1.934773328e+01 2.02 2.322018311e+00 1.221335404e+01 1.727279306e+01 2.04 1.559085680e+00 1.069445754e+01 1.535883046e+01 2.06 8.683946930e-01 9.298043891e+00 1.359440990e+01 2.08 2.435427065e-01 8.014419065e+00 1.196861668e+01 2.10 -3.213153083e-01 6.834547770e+00 1.047115233e+01 2.12 -8.314766228e-01 5.750036315e+00 9.092400015e+00 2.14 -1.291702642e+00 4.753148200e+00 7.823449329e+00 2.16 -1.706243103e+00 3.836828989e+00 6.656090113e+00 2.18 -2.078876354e+00 2.994717448e+00 5.582788887e+00 2.20 -2.412961999e+00 2.221129036e+00 4.596653820e+00 2.22 -2.711438280e+00 1.511009867e+00 3.691386622e+00 2.24 -2.976909954e+00 8.598683803e-01 2.861221023e+00 2.26 -3.211994027e+00 2.636954083e-01 2.100853898e+00 2.28 -3.419074587e+00 -2.811179204e-01 1.405378072e+00 2.30 -3.600332516e+00 -7.778582896e-01 7.702229004e-01 2.32 -3.757783210e+00 -1.229561115e+00 1.911037007e-01 2.34 -3.893304848e+00 -1.639072365e+00 -3.360212597e-01 2.36 -4.008657386e+00 -2.009099412e+00 -8.149862653e-01 2.38 -4.105392690e+00 -2.342249009e+00 -1.249443164e+00 2.40 -4.184804824e+00 -2.641051769e+00 -1.642871462e+00 2.42 -4.248125894e+00 -2.907917602e+00 -1.998571308e+00 2.44 -4.296535159e+00 -3.145163746e+00 -2.319642449e+00 2.46 -4.331153782e+00 -3.355294079e+00 -2.608957483e+00 2.48 -4.353379769e+00 -3.540726435e+00 -2.869139335e+00 2.50 -4.365230204e+00 -3.703757515e+00 -3.102547833e+00 2.52 -4.367176706e+00 -3.846530240e+00 -3.311142228e+00 2.54 -4.359668287e+00 -3.970992912e+00 -3.496851217e+00 2.56 -4.343271118e+00 -4.078864115e+00 -3.661494391e+00 2.58 -4.318630621e+00 -4.171546168e+00 -3.806658488e+00 2.60 -4.286423343e+00 -4.250052966e+00 -3.933739199e+00 2.62 -4.247310220e+00 -4.315234408e+00 -4.043983820e+00 2.64 -4.201981442e+00 -4.367836900e+00 -4.138533471e+00 2.66 -4.151148933e+00 -4.408530816e+00 -4.218426877e+00 2.68 -4.095395018e+00 -4.437967403e+00 -4.284476032e+00 2.70 -4.035174421e+00 -4.457089069e+00 -4.337482017e+00 2.72 -3.970834622e+00 -4.466707380e+00 -4.378332963e+00 2.74 -3.902638706e+00 -4.467526237e+00 -4.407997897e+00 2.76 -3.830788529e+00 -4.459610162e+00 -4.427504171e+00 2.78 -3.755446508e+00 -4.443085828e+00 -4.438312843e+00 2.80 -3.676754569e+00 -4.418143651e+00 -4.442087459e+00 2.82 -3.594849384e+00 -4.385035158e+00 -4.439293485e+00 2.84 -3.509873850e+00 -4.344113954e+00 -4.430336636e+00 2.86 -3.421985529e+00 -4.295864879e+00 -4.415574147e+00 2.88 -3.331363231e+00 -4.240846591e+00 -4.395301186e+00 2.90 -3.238212904e+00 -4.179744067e+00 -4.369752279e+00 2.92 -3.142773617e+00 -4.113329860e+00 -4.339111739e+00 2.94 -3.045323856e+00 -4.042396375e+00 -4.303530232e+00 2.96 -2.946187679e+00 -3.967731272e+00 -4.263202822e+00 2.98 -2.845739679e+00 -3.890088724e+00 -4.218370590e+00 3.00 -2.744407368e+00 -3.810161314e+00 -4.169245443e+00 3.02 -2.642669463e+00 -3.728557780e+00 -4.116015686e+00 3.04 -2.541048918e+00 -3.645789793e+00 -4.058852847e+00 3.06 -2.440100164e+00 -3.562268311e+00 -3.997916538e+00 3.08 -2.340391000e+00 -3.478308040e+00 -3.933358030e+00 3.10 -2.242480565e+00 -3.394137536e+00 -3.865323057e+00 3.12 -2.146895680e+00 -3.309912481e+00 -3.793954173e+00 3.14 -2.054108279e+00 -3.225730181e+00 -3.719392952e+00 3.16 -1.964516548e+00 -3.141643974e+00 -3.641782356e+00 3.18 -1.878431815e+00 -3.057676814e+00 -3.561269566e+00 3.20 -1.796072252e+00 -2.973833688e+00 -3.478009641e+00 3.22 -1.717563404e+00 -2.890112774e+00 -3.392170246e+00 3.24 -1.642944641e+00 -2.806515364e+00 -3.303937570e+00 3.26 -1.572180013e+00 -2.723054586e+00 -3.213523265e+00 3.28 -1.505171735e+00 -2.639762926e+00 -3.121171912e+00 3.30 -1.441774609e+00 -2.556698421e+00 -3.027168131e+00 3.32 -1.381809983e+00 -2.473949296e+00 -2.931842105e+00 3.34 -1.325078265e+00 -2.391636717e+00 -2.835572167e+00 3.36 -1.271369432e+00 -2.309915331e+00 -2.738783180e+00 3.38 -1.220471307e+00 -2.228971305e+00 -2.641939931e+00 3.40 -1.172175685e+00 -2.149017757e+00 -2.545535500e+00 3.42 -1.126282515e+00 -2.070287676e+00 -2.450075450e+00 3.44 -1.082602481e+00 -1.993024768e+00 -2.356059437e+00 3.46 -1.040958299e+00 -1.917472886e+00 -2.263962252e+00 3.48 -1.001185076e+00 -1.843864956e+00 -2.174216308e+00 3.50 -9.631300097e-01 -1.772412391e+00 -2.087197184e+00 3.52 -9.266516758e-01 -1.703295938e+00 -2.003213263e+00 3.54 -8.916190817e-01 -1.636658710e+00 -1.922499866e+00 3.56 -8.579106528e-01 -1.572601884e+00 -1.845217785e+00 3.58 -8.254132623e-01 -1.511183176e+00 -1.771455713e+00 3.60 -7.940214034e-01 -1.452417915e+00 -1.701235835e+00 3.62 -7.636365853e-01 -1.396282279e+00 -1.634521736e+00 3.64 -7.341670245e-01 -1.342718117e+00 -1.571227734e+00 3.66 -7.055276867e-01 -1.291638729e+00 -1.511228852e+00 3.68 -6.776407260e-01 -1.242935027e+00 -1.454370709e+00 3.70 -6.504363363e-01 -1.196481607e+00 -1.400478824e+00 3.72 -6.238539949e-01 -1.152142382e+00 -1.349366947e+00 3.74 -5.978440198e-01 -1.109775546e+00 -1.300844212e+00 3.76 -5.723692900e-01 -1.069237790e+00 -1.254721036e+00 3.78 -5.474068957e-01 -1.030387720e+00 -1.210813759e+00 3.80 -5.229494042e-01 -9.930885421e-01 -1.168948118e+00 3.82 -4.990053819e-01 -9.572100861e-01 -1.128961643e+00 3.84 -4.755988132e-01 -9.226302745e-01 -1.090705132e+00 3.86 -4.527671507e-01 -8.892361545e-01 -1.054043316e+00 3.88 -4.305579064e-01 -8.569246136e-01 -1.018854869e+00 3.90 -4.090239494e-01 -8.256028928e-01 -9.850319014e-01 3.92 -3.882179515e-01 -7.951890031e-01 -9.524790588e-01 3.94 -3.681866487e-01 -7.656121266e-01 -9.211123710e-01 3.96 -3.489656841e-01 -7.368130426e-01 -8.908579452e-01 3.98 -3.305757460e-01 -7.087445854e-01 -8.616506166e-01 4.00 -3.130204885e-01 -6.813720711e-01 -8.334326224e-01 4.02 -2.962864190e-01 -6.546735827e-01 -8.061523601e-01 4.04 -2.803446146e-01 -6.286399512e-01 -7.797632642e-01 4.06 -2.651538796e-01 -6.032742481e-01 -7.542228196e-01 4.08 -2.506648182e-01 -5.785906162e-01 -7.294917148e-01 4.10 -2.368242743e-01 -5.546123254e-01 -7.055331294e-01 4.12 -2.235796486e-01 -5.313690516e-01 -6.823121411e-01 4.14 -2.108827089e-01 -5.088934950e-01 -6.597952381e-01 4.16 -1.986926217e-01 -4.872176260e-01 -6.379499183e-01 4.18 -1.869780299e-01 -4.663689174e-01 -6.167443592e-01 4.20 -1.757180862e-01 -4.463669804e-01 -5.961471465e-01 4.22 -1.649024239e-01 -4.272209712e-01 -5.761270470e-01 4.24 -1.545301147e-01 -4.089280173e-01 -5.566528200e-01 4.26 -1.446077588e-01 -3.914727511e-01 -5.376930615e-01 4.28 -1.351469173e-01 -3.748278750e-01 -5.192160765e-01 4.30 -1.261611833e-01 -3.589555521e-01 -5.011897830e-01 4.32 -1.176632232e-01 -3.438093460e-01 -4.835816485e-01 4.34 -1.096621195e-01 -3.293364220e-01 -4.663586660e-01 4.36 -1.021612932e-01 -3.154797611e-01 -4.494873777e-01 4.38 -9.515718391e-02 -3.021802052e-01 -4.329339584e-01 4.40 -8.863874867e-02 -2.893782279e-01 -4.166643721e-01 4.42 -8.258772437e-02 -2.770153939e-01 -4.006446176e-01 4.44 -7.697951971e-02 -2.650355233e-01 -3.848410819e-01 4.46 -7.178452260e-02 -2.533856099e-01 -3.692210181e-01 4.48 -6.696963095e-02 -2.420165610e-01 -3.537531652e-01 4.50 -6.249982343e-02 -2.308838276e-01 -3.384085226e-01 4.52 -5.833966023e-02 -2.199479848e-01 -3.231612818e-01 4.54 -5.445458862e-02 -2.091753093e-01 -3.079899170e-01 4.56 -5.081180632e-02 -1.985383764e-01 -2.928783927e-01 4.58 -4.738147848e-02 -1.880166774e-01 -2.778174652e-01 4.60 -4.413746099e-02 -1.775972309e-01 -2.628059897e-01 4.62 -4.105726437e-02 -1.672751364e-01 -2.478521379e-01 4.64 -3.812233275e-02 -1.570539942e-01 -2.329744004e-01 4.66 -3.531813170e-02 -1.469461014e-01 -2.182022264e-01 4.68 -3.263406061e-02 -1.369723257e-01 -2.035761523e-01 4.70 -3.006320556e-02 -1.271615702e-01 -1.891472837e-01 4.72 -2.760195422e-02 -1.175497675e-01 -1.749760394e-01 4.74 -2.524948723e-02 -1.081783855e-01 -1.611301312e-01 4.76 -2.300716956e-02 -9.909248136e-02 -1.476818410e-01 4.78 -2.087787439e-02 -9.033842255e-02 -1.347047536e-01 4.80 -1.886527722e-02 -8.196142215e-02 -1.222701868e-01 4.82 -1.697301037e-02 -7.400309487e-02 -1.104436242e-01 4.84 -1.520438543e-02 -6.649924982e-02 -9.928147041e-02 4.86 -1.356182887e-02 -5.947809578e-02 -8.882842156e-02 4.88 -1.204638638e-02 -5.295901051e-02 -7.911566577e-02 4.90 -1.065751399e-02 -4.695195149e-02 -7.016001005e-02 4.92 -9.393020585e-03 -4.145749921e-02 -6.196397911e-02 4.94 -8.249143815e-03 -3.646731894e-02 -5.451673549e-02 4.96 -7.220730701e-03 -3.196546449e-02 -4.779568581e-02 4.98 -6.301489055e-03 -2.792975002e-02 -4.176847776e-02 5.00 -5.484275683e-03 -2.433303093e-02 -3.639522746e-02 5.02 -4.761391302e-03 -2.114471252e-02 -3.163077068e-02 5.04 -4.124858533e-03 -1.833193014e-02 -2.742657065e-02 5.06 -3.566666726e-03 -1.586116010e-02 -2.373293874e-02 5.08 -3.078974533e-03 -1.369947177e-02 -2.050078038e-02 5.10 -2.654267095e-03 -1.181484333e-02 -1.768214035e-02 5.12 -2.285469260e-03 -1.017680552e-02 -1.523166814e-02 5.14 -1.966019185e-03 -8.756878195e-03 -1.310708259e-02 5.16 -1.689908342e-03 -7.528829767e-03 -1.126934480e-02 5.18 -1.451694461e-03 -6.468794919e-03 -9.682876129e-03 5.20 -1.246493823e-03 -5.555284263e-03 -8.315600960e-03 5.22 -1.069958656e-03 -4.769115635e-03 -7.138862788e-03 5.24 -9.182445459e-04 -4.093292045e-03 -6.127254024e-03 5.26 -7.879718301e-04 -3.512846368e-03 -5.258391646e-03 5.28 -6.761840806e-04 -3.014668316e-03 -4.512663437e-03 5.30 -5.803059593e-04 -2.587325237e-03 -3.872963071e-03 5.32 -4.981020824e-04 -2.220884942e-03 -3.324427015e-03 5.34 -4.276379808e-04 -1.906746109e-03 -2.854181975e-03 5.36 -3.672438248e-04 -1.637479740e-03 -2.451108376e-03 5.38 -3.154812644e-04 -1.406683589e-03 -2.105622962e-03 5.40 -2.711135091e-04 -1.208850380e-03 -1.809481820e-03 5.42 -2.330786107e-04 -1.039249834e-03 -1.555603966e-03 5.44 -2.004658080e-04 -8.938240098e-04 -1.337914775e-03 5.46 -1.724947270e-04 -7.690951395e-04 -1.151208080e-03 5.48 -1.484971979e-04 -6.620849505e-04 -9.910254300e-04 5.50 -1.279014326e-04 -5.702444010e-04 -8.535509225e-04 5.52 -1.102183133e-04 -4.913927307e-04 -7.355199745e-04 5.54 -9.502954592e-05 -4.236647734e-04 -6.341402252e-04 5.56 -8.197745482e-05 -3.654655399e-04 -5.470244861e-04 5.58 -7.075620960e-05 -3.154311567e-04 -4.721308085e-04 5.60 -6.110429706e-05 -2.723953374e-04 -4.077132982e-04 5.62 -5.279807131e-05 -2.353606456e-04 -3.522788328e-04 5.64 -4.564623407e-05 -2.034738965e-04 -3.045502363e-04 5.66 -3.948511559e-05 -1.760051213e-04 -2.634347881e-04 5.68 -3.417464290e-05 -1.523295932e-04 -2.279973142e-04 5.70 -2.959489732e-05 -1.319124772e-04 -1.974372082e-04 5.72 -2.564317625e-05 -1.142957273e-04 -1.710688150e-04 5.74 -2.223148595e-05 -9.908690491e-05 -1.483046922e-04 5.76 -1.928440249e-05 -8.594963833e-05 -1.286413271e-04 5.78 -1.673724691e-05 -7.459548273e-05 -1.116469515e-04 5.80 -1.453452825e-05 -6.477697565e-05 -9.695114540e-05 5.82 -1.262861518e-05 -5.628171104e-05 -8.423596578e-05 5.84 -1.097860225e-05 -4.892728211e-05 -7.322837630e-05 5.86 -9.549342187e-06 -4.255696435e-05 -6.369378472e-05 5.88 -8.310619574e-06 -3.703602956e-05 -5.543052515e-05 5.90 -7.236445106e-06 -3.224859757e-05 -4.826514519e-05 5.92 -6.304452560e-06 -2.809494632e-05 -4.204837923e-05 5.94 -5.495383352e-06 -2.448921261e-05 -3.665170659e-05 5.96 -4.792645768e-06 -2.135742601e-05 -3.196440851e-05 5.98 -4.181937891e-06 -1.863582697e-05 -2.789105039e-05 6.00 -3.650924876e-06 -1.626942735e-05 -2.434932706e-05