# 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 = AgPb3 # 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 4.568580018e+02 nan nan 1.16 4.243673327e+02 nan nan 1.18 3.943484823e+02 nan nan 1.20 3.665896661e+02 nan nan 1.22 3.408989160e+02 nan nan 1.24 3.171024134e+02 nan nan 1.26 2.950430471e+02 nan nan 1.28 2.745787923e+02 4.032126303e+02 4.550313426e+02 1.30 2.555809614e+02 3.770178255e+02 4.260196176e+02 1.32 2.379326280e+02 3.526290223e+02 3.989836133e+02 1.34 2.215275556e+02 3.299046452e+02 3.737706695e+02 1.36 2.062693284e+02 3.087150078e+02 3.502418464e+02 1.38 1.920704357e+02 2.889418519e+02 3.282710050e+02 1.40 1.788510846e+02 2.704780373e+02 3.077438036e+02 1.42 1.665379664e+02 2.532268860e+02 2.885561122e+02 1.44 1.550633130e+02 2.371010816e+02 2.706121817e+02 1.46 1.443645276e+02 2.220213320e+02 2.538232229e+02 1.48 1.343840815e+02 2.079149881e+02 2.381067344e+02 1.50 1.250692983e+02 1.947147596e+02 2.233862519e+02 1.52 1.163719675e+02 1.823576972e+02 2.095911316e+02 1.54 1.082478324e+02 1.707846709e+02 1.966562834e+02 1.56 1.006561517e+02 1.599403285e+02 1.845217990e+02 1.58 9.356889085e+01 1.497732810e+02 1.731325872e+02 1.60 8.696839920e+01 1.402362275e+02 1.624380255e+02 1.62 8.082014601e+01 1.312859100e+02 1.523915795e+02 1.64 7.509180095e+01 1.228828671e+02 1.429504562e+02 1.66 6.975364104e+01 1.149910685e+02 1.340752845e+02 1.68 6.477827935e+01 1.075774546e+02 1.257297634e+02 1.70 6.014032102e+01 1.006114110e+02 1.178802726e+02 1.72 5.581609881e+01 9.407053082e+01 1.104954278e+02 1.74 5.178353937e+01 8.794407316e+01 1.035457364e+02 1.76 4.802214473e+01 8.220558691e+01 9.700423311e+01 1.78 4.451299284e+01 7.682925012e+01 9.086046265e+01 1.80 4.123868464e+01 7.179099328e+01 8.509452183e+01 1.82 3.818324034e+01 6.706841165e+01 7.968167122e+01 1.84 3.533196691e+01 6.264069248e+01 7.459904423e+01 1.86 3.267130631e+01 5.848851910e+01 6.982559688e+01 1.88 3.018868902e+01 5.459401248e+01 6.534199551e+01 1.90 2.787240331e+01 5.094064744e+01 6.113042861e+01 1.92 2.571148882e+01 4.751315162e+01 5.717439050e+01 1.94 2.369567261e+01 4.429738726e+01 5.345843460e+01 1.96 2.181533264e+01 4.128023839e+01 4.996798489e+01 1.98 2.006147116e+01 3.844949478e+01 4.668921969e+01 2.00 1.842568072e+01 3.579373987e+01 4.360903020e+01 2.02 1.690011285e+01 3.330225649e+01 4.071503546e+01 2.04 1.547744043e+01 3.096495194e+01 3.799560374e+01 2.06 1.415084322e+01 2.877231039e+01 3.543986268e+01 2.08 1.291399091e+01 2.671537292e+01 3.303768234e+01 2.10 1.176102778e+01 2.478573433e+01 3.077965106e+01 2.12 1.068654816e+01 2.297554445e+01 2.865703902e+01 2.14 9.685560227e+00 2.127750019e+01 2.666175461e+01 2.16 8.753442667e+00 1.968481755e+01 2.478629165e+01 2.18 7.885888915e+00 1.819118998e+01 2.302366791e+01 2.20 7.078864021e+00 1.679073306e+01 2.136736368e+01 2.22 6.328561095e+00 1.547793838e+01 1.981125639e+01 2.24 5.631375711e+00 1.424763253e+01 1.834957066e+01 2.26 4.983893108e+00 1.309494535e+01 1.697683443e+01 2.28 4.382886716e+00 1.201528399e+01 1.568785164e+01 2.30 3.825321073e+00 1.100430911e+01 1.447768031e+01 2.32 3.308353985e+00 1.005791420e+01 1.334162997e+01 2.34 2.829332814e+00 9.172207550e+00 1.227526339e+01 2.36 2.385780805e+00 8.343498463e+00 1.127440332e+01 2.38 1.975384878e+00 7.568287881e+00 1.033513819e+01 2.40 1.595976564e+00 6.843263371e+00 9.453821899e+00 2.42 1.245518771e+00 6.165298396e+00 8.627065166e+00 2.44 9.220955717e-01 5.531452176e+00 7.851717863e+00 2.46 6.239053301e-01 4.938971456e+00 7.124844656e+00 2.48 3.492560891e-01 4.385289655e+00 6.443697428e+00 2.50 9.656210203e-02 3.868023009e+00 5.805690091e+00 2.52 -1.356594193e-01 3.384962723e+00 5.208375034e+00 2.54 -3.487917441e-01 2.934063244e+00 4.649428859e+00 2.56 -5.441253331e-01 2.513427515e+00 4.126642513e+00 2.58 -7.228615485e-01 2.121290457e+00 3.637916342e+00 2.60 -8.861230061e-01 1.756002056e+00 3.181257485e+00 2.62 -1.034959361e+00 1.416011993e+00 2.754778201e+00 2.64 -1.170356080e+00 1.099853780e+00 2.356691091e+00 2.66 -1.293238194e+00 8.061378839e-01 1.985308194e+00 2.68 -1.404474899e+00 5.335422166e-01 1.639033884e+00 2.70 -1.504881832e+00 2.808088380e-01 1.316360200e+00 2.72 -1.595223185e+00 4.674204055e-02 1.015862065e+00 2.74 -1.676275448e+00 -1.697925168e-01 7.361937237e-01 2.76 -1.748729646e+00 -3.698683892e-01 4.760865976e-01 2.78 -1.813115120e+00 -5.544987229e-01 2.343481797e-01 2.80 -1.869941343e+00 -7.246387789e-01 9.860614254e-03 2.82 -1.919694895e+00 -8.811850522e-01 -1.984211713e-01 2.84 -1.962840125e+00 -1.024978761e+00 -3.914735392e-01 2.86 -1.999817534e+00 -1.156807712e+00 -5.702092469e-01 2.88 -2.031046863e+00 -1.277409080e+00 -7.354831611e-01 2.90 -2.056923235e+00 -1.387472666e+00 -8.880975608e-01 2.92 -2.077824750e+00 -1.487644650e+00 -1.028806400e+00 2.94 -2.094112784e+00 -1.578531760e+00 -1.158318466e+00 2.96 -2.106123203e+00 -1.660705761e+00 -1.277298153e+00 2.98 -2.114179081e+00 -1.734725280e+00 -1.386375047e+00 3.00 -2.118675385e+00 -1.801183329e+00 -1.486135339e+00 3.02 -2.119827100e+00 -1.860509912e+00 -1.577133157e+00 3.04 -2.117798271e+00 -1.913104662e+00 -1.659891754e+00 3.06 -2.112760604e+00 -1.959366563e+00 -1.734913769e+00 3.08 -2.104890609e+00 -1.999686351e+00 -1.802742173e+00 3.10 -2.094367026e+00 -2.034449726e+00 -1.863785815e+00 3.12 -2.081368792e+00 -2.064032995e+00 -1.918406330e+00 3.14 -2.066073542e+00 -2.088805787e+00 -1.966953554e+00 3.16 -2.048648628e+00 -2.109122508e+00 -2.009764083e+00 3.18 -2.029235230e+00 -2.125329889e+00 -2.047160283e+00 3.20 -2.007977909e+00 -2.137759112e+00 -2.079449436e+00 3.22 -1.985029706e+00 -2.146720688e+00 -2.106925042e+00 3.24 -1.960551243e+00 -2.152508786e+00 -2.129864775e+00 3.26 -1.934708625e+00 -2.155451580e+00 -2.148533175e+00 3.28 -1.907669946e+00 -2.155774825e+00 -2.163185138e+00 3.30 -1.879600697e+00 -2.153614587e+00 -2.174063378e+00 3.32 -1.850658729e+00 -2.149095089e+00 -2.181397649e+00 3.34 -1.820988879e+00 -2.142336625e+00 -2.185416072e+00 3.36 -1.790722808e+00 -2.133456166e+00 -2.186410393e+00 3.38 -1.759972092e+00 -2.122568298e+00 -2.184533118e+00 3.40 -1.728831743e+00 -2.109785699e+00 -2.179910164e+00 3.42 -1.697379620e+00 -2.095220709e+00 -2.172679809e+00 3.44 -1.665682472e+00 -2.078974539e+00 -2.162993099e+00 3.46 -1.633792617e+00 -2.061134667e+00 -2.151014081e+00 3.48 -1.601755099e+00 -2.041785862e+00 -2.136919335e+00 3.50 -1.569608295e+00 -2.021015116e+00 -2.120894453e+00 3.52 -1.537390430e+00 -1.998910558e+00 -2.103138531e+00 3.54 -1.505135089e+00 -1.975560447e+00 -2.083838952e+00 3.56 -1.472877222e+00 -1.951052522e+00 -2.063165778e+00 3.58 -1.440652838e+00 -1.925473748e+00 -2.041284061e+00 3.60 -1.408499393e+00 -1.898910433e+00 -2.018349822e+00 3.62 -1.376455734e+00 -1.871448651e+00 -1.994505063e+00 3.64 -1.344561709e+00 -1.843174867e+00 -1.969874594e+00 3.66 -1.312857540e+00 -1.814176579e+00 -1.944564857e+00 3.68 -1.281383090e+00 -1.784542805e+00 -1.918664544e+00 3.70 -1.250177099e+00 -1.754364192e+00 -1.892246552e+00 3.72 -1.219276494e+00 -1.723732610e+00 -1.865370720e+00 3.74 -1.188715791e+00 -1.692740141e+00 -1.838086820e+00 3.76 -1.158526650e+00 -1.661477546e+00 -1.810437419e+00 3.78 -1.128737579e+00 -1.630032382e+00 -1.782460364e+00 3.80 -1.099373779e+00 -1.598487061e+00 -1.754190782e+00 3.82 -1.070457122e+00 -1.566917160e+00 -1.725662567e+00 3.84 -1.042006222e+00 -1.535390237e+00 -1.696909411e+00 3.86 -1.014036595e+00 -1.503965288e+00 -1.667965419e+00 3.88 -9.865608475e-01 -1.472692836e+00 -1.638865388e+00 3.90 -9.595888981e-01 -1.441615547e+00 -1.609644812e+00 3.92 -9.331272779e-01 -1.410768182e+00 -1.580338326e+00 3.94 -9.071831477e-01 -1.380182829e+00 -1.550984979e+00 3.96 -8.817584541e-01 -1.349883402e+00 -1.521618913e+00 3.98 -8.568542956e-01 -1.319891130e+00 -1.492275058e+00 4.00 -8.324699123e-01 -1.290224042e+00 -1.462986984e+00 4.02 -8.086027707e-01 -1.260897474e+00 -1.433786426e+00 4.04 -7.852486326e-01 -1.231924414e+00 -1.404702899e+00 4.06 -7.624016164e-01 -1.203315733e+00 -1.375763420e+00 4.08 -7.400542628e-01 -1.175080360e+00 -1.346992357e+00 4.10 -7.181976135e-01 -1.147222347e+00 -1.318411427e+00 4.12 -6.968213157e-01 -1.119753974e+00 -1.290039827e+00 4.14 -6.759137601e-01 -1.092675680e+00 -1.261894511e+00 4.16 -6.554622619e-01 -1.065990586e+00 -1.233990569e+00 4.18 -6.354532930e-01 -1.039701074e+00 -1.206341705e+00 4.20 -6.158703121e-01 -1.013809166e+00 -1.178960743e+00 4.22 -5.967043821e-01 -9.883169193e-01 -1.151860136e+00 4.24 -5.779384515e-01 -9.632267827e-01 -1.125052402e+00 4.26 -5.595591246e-01 -9.385418883e-01 -1.098550443e+00 4.28 -5.415541865e-01 -9.142662316e-01 -1.072367696e+00 4.30 -5.239131375e-01 -8.904047081e-01 -1.046518099e+00 4.32 -5.066277219e-01 -8.669629927e-01 -1.021015857e+00 4.34 -4.896924073e-01 -8.439472663e-01 -9.958750564e-01 4.36 -4.731042402e-01 -8.213638190e-01 -9.711091692e-01 4.38 -4.568652633e-01 -7.992185791e-01 -9.467305318e-01 4.40 -4.409790916e-01 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-2.226194846e-01 -4.593578708e-01 -5.601784344e-01 4.78 -2.139171512e-01 -4.451677387e-01 -5.435454846e-01 4.80 -2.054697721e-01 -4.312742148e-01 -5.272359441e-01 4.82 -1.972630437e-01 -4.176737870e-01 -5.112455499e-01 4.84 -1.892853671e-01 -4.043568301e-01 -4.955715343e-01 4.86 -1.815280317e-01 -3.913175345e-01 -4.802128418e-01 4.88 -1.739852619e-01 -3.785514594e-01 -4.651702898e-01 4.90 -1.666541229e-01 -3.660556030e-01 -4.504466470e-01 4.92 -1.595342801e-01 -3.538284093e-01 -4.360466049e-01 4.94 -1.526276182e-01 -3.418696997e-01 -4.219766236e-01 4.96 -1.459377321e-01 -3.301805257e-01 -4.082446420e-01 4.98 -1.394693181e-01 -3.187629446e-01 -3.948596558e-01 5.00 -1.332275015e-01 -3.076197321e-01 -3.818311820e-01 5.02 -1.272171517e-01 -2.967540535e-01 -3.691686427e-01 5.04 -1.214422357e-01 -2.861691236e-01 -3.568807151e-01 5.06 -1.159052629e-01 -2.758678868e-01 -3.449746987e-01 5.08 -1.106068636e-01 -2.658527499e-01 -3.334559557e-01 5.10 -1.055455277e-01 -2.561253912e-01 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-1.283915815e-01 -1.791985767e-01 5.48 -4.323137764e-02 -1.236547261e-01 -1.735708724e-01 5.50 -4.116601048e-02 -1.191142536e-01 -1.681004734e-01 5.52 -3.919249125e-02 -1.147586132e-01 -1.627770216e-01 5.54 -3.730917005e-02 -1.105759889e-01 -1.575894821e-01 5.56 -3.551415479e-02 -1.065544734e-01 -1.525309839e-01 5.58 -3.380518950e-02 -1.026822286e-01 -1.475911850e-01 5.60 -3.217946079e-02 -9.894762734e-02 -1.427615036e-01 5.62 -3.063379621e-02 -9.533937219e-02 -1.380337211e-01 5.64 -2.916470127e-02 -9.184659322e-02 -1.333999674e-01 5.66 -2.776839080e-02 -8.845892547e-02 -1.288527154e-01 5.68 -2.644074529e-02 -8.516656848e-02 -1.243847882e-01 5.70 -2.517740295e-02 -8.196033338e-02 -1.199893779e-01 5.72 -2.397385870e-02 -7.883168101e-02 -1.156600771e-01 5.74 -2.282556345e-02 -7.577275449e-02 -1.113909239e-01 5.76 -2.172801849e-02 -7.277641000e-02 -1.071764603e-01 5.78 -2.067686163e-02 -6.983624828e-02 -1.030118035e-01 5.80 -1.966794297e-02 -6.694664755e-02 -9.889272545e-02 5.82 -1.869738934e-02 -6.410280066e-02 -9.481574604e-02 5.84 -1.776165730e-02 -6.130075454e-02 -9.077823103e-02 5.86 -1.685757512e-02 -5.853745092e-02 -8.677849292e-02 5.88 -1.598237411e-02 -5.581076569e-02 -8.281588909e-02 5.90 -1.513371006e-02 -5.311954341e-02 -7.889091108e-02 5.92 -1.430967492e-02 -5.046362255e-02 -7.500525793e-02 5.94 -1.350879907e-02 -4.784383828e-02 -7.116188557e-02 5.96 -1.273004395e-02 -4.526178023e-02 -6.736502529e-02 5.98 -1.197278496e-02 -4.272019408e-02 -6.362015900e-02 6.00 -1.123678449e-02 -4.022286044e-02 -5.993395016e-02