# 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 = Pb3Ti # 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 4.958399911e+02 nan nan 1.16 4.610850245e+02 nan nan 1.18 4.289542553e+02 nan nan 1.20 3.992243238e+02 nan nan 1.22 3.716920467e+02 nan nan 1.24 3.461731318e+02 nan nan 1.26 3.225013846e+02 nan nan 1.28 3.005269470e+02 4.384755546e+02 4.937416873e+02 1.30 2.801139541e+02 4.104251490e+02 4.627153838e+02 1.32 2.611387197e+02 3.842945156e+02 4.337860172e+02 1.34 2.434887607e+02 3.599335337e+02 4.067924945e+02 1.36 2.270617171e+02 3.372043973e+02 3.815886216e+02 1.38 2.117641627e+02 3.159816572e+02 3.580410147e+02 1.40 1.975106787e+02 2.961524912e+02 3.360276242e+02 1.42 1.842230527e+02 2.776156919e+02 3.154369072e+02 1.44 1.718293415e+02 2.602793601e+02 2.961667684e+02 1.46 1.602632324e+02 2.440586468e+02 2.781231467e+02 1.48 1.494638416e+02 2.288746128e+02 2.612190137e+02 1.50 1.393755498e+02 2.146540428e+02 2.453739458e+02 1.52 1.299475802e+02 2.013293827e+02 2.305137901e+02 1.54 1.211333710e+02 1.888383610e+02 2.165702194e+02 1.56 1.128900779e+02 1.771233641e+02 2.034802855e+02 1.58 1.051781917e+02 1.661308884e+02 1.911862019e+02 1.60 9.796118103e+01 1.558112853e+02 1.796351648e+02 1.62 9.120519771e+01 1.461187749e+02 1.687788770e+02 1.64 8.488218581e+01 1.370114669e+02 1.585727621e+02 1.66 7.898091609e+01 1.284512345e+02 1.489751402e+02 1.68 7.347449179e+01 1.204033702e+02 1.399467251e+02 1.70 6.833506705e+01 1.128360261e+02 1.314505649e+02 1.72 6.353693018e+01 1.057195609e+02 1.234521470e+02 1.74 5.905637925e+01 9.902595376e+01 1.159194541e+02 1.76 5.487156116e+01 9.272853843e+01 1.088228395e+02 1.78 5.096229831e+01 8.680253712e+01 1.021348008e+02 1.80 4.730993623e+01 8.123667280e+01 9.582969281e+01 1.82 4.389722738e+01 7.601531107e+01 8.988361557e+01 1.84 4.070822711e+01 7.111571847e+01 8.427779097e+01 1.86 3.772817965e+01 6.651681503e+01 7.900571231e+01 1.88 3.494341524e+01 6.219910309e+01 7.404807735e+01 1.90 3.234125500e+01 5.814456091e+01 6.938549425e+01 1.92 2.990990714e+01 5.433652042e+01 6.500014339e+01 1.94 2.763836698e+01 5.075952654e+01 6.087555359e+01 1.96 2.551632622e+01 4.739920058e+01 5.699634713e+01 1.98 2.353410312e+01 4.424210908e+01 5.334799857e+01 2.00 2.168258890e+01 4.127566087e+01 4.991667761e+01 2.02 1.995321596e+01 3.848804729e+01 4.668921075e+01 2.04 1.833792662e+01 3.586820637e+01 4.365310944e+01 2.06 1.682917365e+01 3.340579875e+01 4.079661523e+01 2.08 1.541992361e+01 3.109119099e+01 3.810871701e+01 2.10 1.410366570e+01 2.891544009e+01 3.557915156e+01 2.12 1.287440645e+01 2.687027134e+01 3.319838224e+01 2.14 1.172663975e+01 2.494803962e+01 3.095756485e+01 2.16 1.065529604e+01 2.314166816e+01 2.884849912e+01 2.18 9.655667768e+00 2.144457932e+01 2.686356432e+01 2.20 8.723350356e+00 1.985061936e+01 2.499564573e+01 2.22 7.854188759e+00 1.835400186e+01 2.323804890e+01 2.24 7.044251863e+00 1.694926025e+01 2.158443540e+01 2.26 6.289823002e+00 1.563121085e+01 2.002877885e+01 2.28 5.587400303e+00 1.439492145e+01 1.856535484e+01 2.30 4.933697250e+00 1.323568183e+01 1.718873936e+01 2.32 4.325640840e+00 1.214898349e+01 1.589381951e+01 2.34 3.760363866e+00 1.113050617e+01 1.467579343e+01 2.36 3.235187088e+00 1.017611636e+01 1.353016574e+01 2.38 2.747604960e+00 9.281873028e+00 1.245274093e+01 2.40 2.295264743e+00 8.444037575e+00 1.143961448e+01 2.42 1.875951832e+00 7.659084564e+00 1.048716175e+01 2.44 1.487578481e+00 6.923706242e+00 9.592020226e+00 2.46 1.128150916e+00 6.234814278e+00 8.751064268e+00 2.48 7.957858180e-01 5.589535240e+00 7.961373873e+00 2.50 4.887868170e-01 4.985202699e+00 7.220203308e+00 2.52 2.055468159e-01 4.419346899e+00 6.524947880e+00 2.54 -5.545919729e-02 3.889682773e+00 5.873121123e+00 2.56 -2.956786171e-01 3.394096511e+00 5.262337048e+00 2.58 -5.164822687e-01 2.930630500e+00 4.690300466e+00 2.60 -7.191677460e-01 2.497466640e+00 4.154803419e+00 2.62 -9.049498725e-01 2.092909050e+00 3.653726091e+00 2.64 -1.074893875e+00 1.715364885e+00 3.185038401e+00 2.66 -1.229971282e+00 1.363331230e+00 2.746805946e+00 2.68 -1.371111129e+00 1.035358102e+00 2.337191837e+00 2.70 -1.499198283e+00 7.300601522e-01 1.954459073e+00 2.72 -1.615071620e+00 4.461784528e-01 1.596970743e+00 2.74 -1.719522710e+00 1.825038025e-01 1.263188721e+00 2.76 -1.813295445e+00 -6.212451240e-02 9.516463623e-01 2.78 -1.897086576e+00 -2.888163921e-01 6.609767698e-01 2.80 -1.971549135e+00 -4.986296932e-01 3.899640862e-01 2.82 -2.037293694e+00 -6.925673935e-01 1.374690277e-01 2.84 -2.094893852e+00 -8.715781203e-01 -9.757684393e-02 2.86 -2.144889554e+00 -1.036541903e+00 -3.161763320e-01 2.88 -2.187793236e+00 -1.188223843e+00 -5.192720022e-01 2.90 -2.224088779e+00 -1.327336307e+00 -7.077508627e-01 2.92 -2.254234598e+00 -1.454561944e+00 -8.824478003e-01 2.94 -2.278666698e+00 -1.570554625e+00 -1.044133254e+00 2.96 -2.297792227e+00 -1.675941167e+00 -1.193468577e+00 2.98 -2.311993346e+00 -1.771323712e+00 -1.331073496e+00 3.00 -2.321626514e+00 -1.857282476e+00 -1.457538157e+00 3.02 -2.327023774e+00 -1.934378298e+00 -1.573431351e+00 3.04 -2.328494599e+00 -2.003153413e+00 -1.679300687e+00 3.06 -2.326327885e+00 -2.064135799e+00 -1.775674493e+00 3.08 -2.320796991e+00 -2.117832207e+00 -1.863063050e+00 3.10 -2.312253388e+00 -2.164731317e+00 -1.941958904e+00 3.12 -2.300894482e+00 -2.205300518e+00 -2.012836416e+00 3.14 -2.286847976e+00 -2.239990269e+00 -2.076150892e+00 3.16 -2.270255528e+00 -2.269227287e+00 -2.132337712e+00 3.18 -2.251272944e+00 -2.293420025e+00 -2.181811790e+00 3.20 -2.230070648e+00 -2.312956883e+00 -2.224967290e+00 3.22 -2.206833583e+00 -2.328204675e+00 -2.262179406e+00 3.24 -2.181759581e+00 -2.339506226e+00 -2.293803701e+00 3.26 -2.155048593e+00 -2.347177855e+00 -2.320179124e+00 3.28 -2.126879887e+00 -2.351507613e+00 -2.341629718e+00 3.30 -2.097434795e+00 -2.352754909e+00 -2.358466779e+00 3.32 -2.066896741e+00 -2.351151719e+00 -2.370990800e+00 3.34 -2.035443857e+00 -2.346908259e+00 -2.379492859e+00 3.36 -2.003245951e+00 -2.340246137e+00 -2.384255249e+00 3.38 -1.970455443e+00 -2.331371960e+00 -2.385551365e+00 3.40 -1.937207112e+00 -2.320380565e+00 -2.383645177e+00 3.42 -1.903614331e+00 -2.307351035e+00 -2.378790751e+00 3.44 -1.869773402e+00 -2.292368939e+00 -2.371232250e+00 3.46 -1.835757618e+00 -2.275527753e+00 -2.361261029e+00 3.48 -1.801625013e+00 -2.256928301e+00 -2.349129349e+00 3.50 -1.767419577e+00 -2.236678400e+00 -2.334974520e+00 3.52 -1.733178622e+00 -2.214891968e+00 -2.318949253e+00 3.54 -1.698930645e+00 -2.191684844e+00 -2.301206512e+00 3.56 -1.664702355e+00 -2.167164839e+00 -2.281903855e+00 3.58 -1.630519856e+00 -2.141429363e+00 -2.261196390e+00 3.60 -1.596410108e+00 -2.114576758e+00 -2.239232339e+00 3.62 -1.562401642e+00 -2.086705085e+00 -2.216149500e+00 3.64 -1.528524672e+00 -2.057910226e+00 -2.192070671e+00 3.66 -1.494810768e+00 -2.028285112e+00 -2.167089548e+00 3.68 -1.461292241e+00 -1.997919947e+00 -2.141281542e+00 3.70 -1.428001403e+00 -1.966903054e+00 -2.114715723e+00 3.72 -1.394969815e+00 -1.935321795e+00 -2.087455667e+00 3.74 -1.362227609e+00 -1.903263118e+00 -2.059560706e+00 3.76 -1.329802963e+00 -1.870813457e+00 -2.031087098e+00 3.78 -1.297721742e+00 -1.838057966e+00 -2.002088976e+00 3.80 -1.266007328e+00 -1.805079274e+00 -1.972618990e+00 3.82 -1.234680623e+00 -1.771956055e+00 -1.942728677e+00 3.84 -1.203760192e+00 -1.738761736e+00 -1.912468582e+00 3.86 -1.173262520e+00 -1.705563569e+00 -1.881888224e+00 3.88 -1.143202322e+00 -1.672422171e+00 -1.851035963e+00 3.90 -1.113592872e+00 -1.639391523e+00 -1.819958829e+00 3.92 -1.084445432e+00 -1.606518337e+00 -1.788701148e+00 3.94 -1.055773171e+00 -1.573846732e+00 -1.757309563e+00 3.96 -1.027585536e+00 -1.541412413e+00 -1.725824951e+00 3.98 -9.998923970e-01 -1.509247825e+00 -1.694288093e+00 4.00 -9.727029519e-01 -1.477381484e+00 -1.662738264e+00 4.02 -9.460256460e-01 -1.445838389e+00 -1.631213323e+00 4.04 -9.198680364e-01 -1.414640325e+00 -1.599749755e+00 4.06 -8.942366338e-01 -1.383806079e+00 -1.568382638e+00 4.08 -8.691367417e-01 -1.353351581e+00 -1.537145465e+00 4.10 -8.445723141e-01 -1.323286887e+00 -1.506069832e+00 4.12 -8.205458466e-01 -1.293629361e+00 -1.475185029e+00 4.14 -7.970583097e-01 -1.264383235e+00 -1.444517592e+00 4.16 -7.741091281e-01 -1.235554153e+00 -1.414090949e+00 4.18 -7.516962054e-01 -1.207145541e+00 -1.383925242e+00 4.20 -7.298136194e-01 -1.179158829e+00 -1.354037423e+00 4.22 -7.084616137e-01 -1.151593712e+00 -1.324441617e+00 4.24 -6.876311872e-01 -1.124448453e+00 -1.295149716e+00 4.26 -6.673151220e-01 -1.097720217e+00 -1.266172095e+00 4.28 -6.475052609e-01 -1.071405421e+00 -1.237518324e+00 4.30 -6.281926610e-01 -1.045500089e+00 -1.209197768e+00 4.32 -6.093677415e-01 -1.020000188e+00 -1.181219980e+00 4.34 -5.910204187e-01 -9.949019394e-01 -1.153594876e+00 4.36 -5.731396018e-01 -9.702020704e-01 -1.126332687e+00 4.38 -5.557158895e-01 -9.458980124e-01 -1.099443769e+00 4.40 -5.387375650e-01 -9.219880204e-01 -1.072938322e+00 4.42 -5.221935060e-01 -8.984712188e-01 -1.046826097e+00 4.44 -5.060724616e-01 -8.753475718e-01 -1.021116159e+00 4.46 -4.903630654e-01 -8.526177870e-01 -9.958167132e-01 4.48 -4.750538326e-01 -8.302831641e-01 -9.709350300e-01 4.50 -4.601331470e-01 -8.083454028e-01 -9.464774286e-01 4.52 -4.455892134e-01 -7.868063866e-01 -9.224453070e-01 4.54 -4.314101558e-01 -7.656679587e-01 -8.988519126e-01 4.56 -4.175838153e-01 -7.449317040e-01 -8.756962498e-01 4.58 -4.040978729e-01 -7.245987495e-01 -8.529814005e-01 4.60 -3.909398210e-01 -7.046695911e-01 -8.307097598e-01 4.62 -3.780969855e-01 -6.851439544e-01 -8.088830576e-01 4.64 -3.655565702e-01 -6.660206906e-01 -7.875023649e-01 4.66 -3.533057245e-01 -6.472977103e-01 -7.665680917e-01 4.68 -3.413316380e-01 -6.289719543e-01 -7.460799803e-01 4.70 -3.296216641e-01 -6.110393990e-01 -7.260371024e-01 4.72 -3.181634727e-01 -5.934950972e-01 -7.064378597e-01 4.74 -3.069452312e-01 -5.763332494e-01 -6.872799929e-01 4.76 -2.959558103e-01 -5.595473063e-01 -6.685605991e-01 4.78 -2.851850092e-01 -5.431301007e-01 -6.502761568e-01 4.80 -2.746237893e-01 -5.270718688e-01 -6.324225577e-01 4.82 -2.642645045e-01 -5.113693149e-01 -6.149951448e-01 4.84 -2.541011114e-01 -4.960119358e-01 -5.979887530e-01 4.86 -2.441293403e-01 -4.809919050e-01 -5.813977533e-01 4.88 -2.343468074e-01 -4.663017582e-01 -5.652160970e-01 4.90 -2.247530513e-01 -4.519346051e-01 -5.494373595e-01 4.92 -2.153494815e-01 -4.378843171e-01 -5.340547827e-01 4.94 -2.061392330e-01 -4.241456721e-01 -5.190613152e-01 4.96 -1.971269355e-01 -4.107144394e-01 -5.044496493e-01 4.98 -1.883184135e-01 -3.975873916e-01 -4.902122547e-01 5.00 -1.797203454e-01 -3.847622355e-01 -4.763414091e-01 5.02 -1.713399162e-01 -3.722374674e-01 -4.628292246e-01 5.04 -1.631844969e-01 -3.600121659e-01 -4.496676707e-01 5.06 -1.552613774e-01 -3.480857502e-01 -4.368485933e-01 5.08 -1.475775680e-01 -3.364577346e-01 -4.243637309e-01 5.10 -1.401396650e-01 -3.251275143e-01 -4.122047267e-01 5.12 -1.329537635e-01 -3.140942082e-01 -4.003631380e-01 5.14 -1.260253872e-01 -3.033565748e-01 -3.888304425e-01 5.16 -1.193594029e-01 -2.929130015e-01 -3.775980416e-01 5.18 -1.129598954e-01 -2.827615504e-01 -3.666572623e-01 5.20 -1.068299926e-01 -2.729000370e-01 -3.559993554e-01 5.22 -1.009716520e-01 -2.633261092e-01 -3.456154935e-01 5.24 -9.538542837e-02 -2.540372970e-01 -3.354967666e-01 5.26 -9.007027554e-02 -2.450310128e-01 -3.256341771e-01 5.28 -8.502341411e-02 -2.363044895e-01 -3.160186348e-01 5.30 -8.024029758e-02 -2.278546611e-01 -3.066409518e-01 5.32 -7.571469347e-02 -2.196779969e-01 -2.974918387e-01 5.34 -7.143887512e-02 -2.117703129e-01 -2.885619029e-01 5.36 -6.740390224e-02 -2.041265857e-01 -2.798416508e-01 5.38 -6.359994986e-02 -1.967407940e-01 -2.713214932e-01 5.40 -6.001665189e-02 -1.896058099e-01 -2.629917585e-01 5.42 -5.664341889e-02 -1.827133537e-01 -2.548427132e-01 5.44 -5.346970108e-02 -1.760540183e-01 -2.468645916e-01 5.46 -5.048517913e-02 -1.696173634e-01 -2.390476390e-01 5.48 -4.767987863e-02 -1.633920691e-01 -2.313821676e-01 5.50 -4.504421530e-02 -1.573661400e-01 -2.238586291e-01 5.52 -4.256898425e-02 -1.515271426e-01 -2.164677047e-01 5.54 -4.024531201e-02 -1.458624649e-01 -2.091992300e-01 5.56 -3.806459070e-02 -1.403595816e-01 -2.020472182e-01 5.58 -3.601839587e-02 -1.350063173e-01 -1.950023875e-01 5.60 -3.409830770e-02 -1.297910951e-01 -1.880575924e-01 5.62 -3.229621943e-02 -1.247031654e-01 -1.812066110e-01 5.64 -3.060403012e-02 -1.197328060e-01 -1.744443056e-01 5.66 -2.901370447e-02 -1.148714888e-01 -1.677667714e-01 5.68 -2.751753479e-02 -1.101120065e-01 -1.611714596e-01 5.70 -2.610797309e-02 -1.054485522e-01 -1.546572628e-01 5.72 -2.477769213e-02 -1.008767500e-01 -1.482245493e-01 5.74 -2.351964991e-02 -9.639362728e-02 -1.418751364e-01 5.76 -2.232715103e-02 -9.199753619e-02 -1.356121962e-01 5.78 -2.119390212e-02 -8.768802371e-02 -1.294400977e-01 5.80 -2.011405917e-02 -8.346565777e-02 -1.233641902e-01 5.82 -1.908226594e-02 -7.933182509e-02 -1.173905473e-01 5.84 -1.809368326e-02 -7.528851584e-02 -1.115256927e-01 5.86 -1.714400938e-02 -7.133811530e-02 -1.057763330e-01 5.88 -1.622949196e-02 -6.748321658e-02 -1.001491249e-01 5.90 -1.534693186e-02 -6.372647177e-02 -9.465049316e-02 5.92 -1.449367918e-02 -6.007049117e-02 -8.928651434e-02 5.94 -1.366762144e-02 -5.651779113e-02 -8.406287508e-02 5.96 -1.286716372e-02 -5.307078624e-02 -7.898488889e-02 5.98 -1.209120047e-02 -4.973181260e-02 -7.405755838e-02 6.00 -1.133907875e-02 -4.650316970e-02 -6.928566090e-02