# 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 = NiPd3 # 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 3.024211913e+02 nan nan 1.16 2.779996208e+02 nan nan 1.18 2.555494440e+02 nan nan 1.20 2.348956761e+02 nan nan 1.22 2.158821969e+02 nan nan 1.24 1.983690028e+02 nan nan 1.26 1.822289021e+02 nan nan 1.28 1.673453169e+02 2.617379482e+02 3.006013738e+02 1.30 1.536121779e+02 2.422087047e+02 2.788007247e+02 1.32 1.409341118e+02 2.241138557e+02 2.585804043e+02 1.34 1.292252453e+02 2.073423962e+02 2.398134181e+02 1.36 1.184072145e+02 1.917910566e+02 2.223864263e+02 1.38 1.084077836e+02 1.773635016e+02 2.061970753e+02 1.40 9.916036594e+01 1.639710595e+02 1.911512738e+02 1.42 9.060372028e+01 1.515330294e+02 1.771615612e+02 1.44 8.268138628e+01 1.399759932e+02 1.641466708e+02 1.46 7.534125205e+01 1.292329578e+02 1.520318164e+02 1.48 6.853557138e+01 1.192427916e+02 1.407489668e+02 1.50 6.222113083e+01 1.099496020e+02 1.302366308e+02 1.52 5.636456102e+01 1.013018174e+02 1.204390633e+02 1.54 5.098163197e+01 9.325130349e+01 1.113050656e+02 1.56 4.604720961e+01 8.575293660e+01 1.027869046e+02 1.58 4.152542972e+01 7.876466018e+01 9.483984775e+01 1.60 3.738306307e+01 7.224770254e+01 8.742222036e+01 1.62 3.358923524e+01 6.616666031e+01 8.049552075e+01 1.64 3.011552857e+01 6.048938714e+01 7.402437098e+01 1.66 2.693607825e+01 5.519545582e+01 6.797641188e+01 1.68 2.402740473e+01 5.030150322e+01 6.232220994e+01 1.70 2.136800329e+01 4.578401687e+01 5.703603511e+01 1.72 1.893788963e+01 4.161516099e+01 5.212973724e+01 1.74 1.671828422e+01 3.776915774e+01 4.759415409e+01 1.76 1.469148697e+01 3.422197447e+01 4.340190748e+01 1.78 1.284090610e+01 3.095121676e+01 3.952737981e+01 1.80 1.115118814e+01 2.793610384e+01 3.594672532e+01 1.82 9.608371965e+00 2.515742209e+01 3.263780939e+01 1.84 8.199965964e+00 2.259742619e+01 2.958007852e+01 1.86 6.914889576e+00 2.023970298e+01 2.675446803e+01 1.88 5.743304942e+00 1.806902628e+01 2.414339066e+01 1.90 4.676408618e+00 1.607123386e+01 2.173074466e+01 1.92 3.706237976e+00 1.423315119e+01 1.950186363e+01 1.94 2.825513011e+00 1.254256377e+01 1.744338925e+01 1.96 2.027514629e+00 1.098821281e+01 1.554310191e+01 1.98 1.305995337e+00 9.559776514e+00 1.378975458e+01 2.00 6.551149618e-01 8.247810768e+00 1.217293785e+01 2.02 6.938927777e-02 7.043651540e+00 1.068298255e+01 2.04 -4.563580541e-01 5.939303810e+00 9.310891869e+00 2.06 -9.270371815e-01 4.927345756e+00 8.048290211e+00 2.08 -1.347313991e+00 4.000864494e+00 6.887376378e+00 2.10 -1.721603515e+00 3.153423797e+00 5.820873407e+00 2.12 -2.054041102e+00 2.379053220e+00 4.841976831e+00 2.14 -2.348448307e+00 1.672243922e+00 3.944311911e+00 2.16 -2.608309138e+00 1.027938641e+00 3.121910162e+00 2.18 -2.836763995e+00 4.415097681e-01 2.369204107e+00 2.20 -3.036621398e+00 -9.127353831e-02 1.681026503e+00 2.22 -3.210383768e+00 -5.742842119e-01 1.052598993e+00 2.24 -3.360281235e+00 -1.011076907e+00 4.795064483e-01 2.26 -3.488306787e+00 -1.404925813e+00 -4.233489204e-02 2.28 -3.596248967e+00 -1.758861325e+00 -5.167061431e-01 2.30 -3.685718000e+00 -2.075707856e+00 -9.471096554e-01 2.32 -3.758177005e+00 -2.358123225e+00 -1.336792825e+00 2.34 -3.814970136e+00 -2.608635528e+00 -1.688775674e+00 2.36 -3.857358039e+00 -2.829670156e+00 -2.005880094e+00 2.38 -3.887564939e+00 -3.023561761e+00 -2.290753694e+00 2.40 -3.906804605e+00 -3.192552964e+00 -2.545881296e+00 2.42 -3.915395582e+00 -3.338788244e+00 -2.773582180e+00 2.44 -3.913625547e+00 -3.464311837e+00 -2.975998365e+00 2.46 -3.901854406e+00 -3.571071923e+00 -3.155083900e+00 2.48 -3.880569347e+00 -3.660925340e+00 -3.312604498e+00 2.50 -3.850386363e+00 -3.735629055e+00 -3.450151551e+00 2.52 -3.812131093e+00 -3.796819532e+00 -3.569168162e+00 2.54 -3.766896365e+00 -3.845980143e+00 -3.670980682e+00 2.56 -3.715816843e+00 -3.884408573e+00 -3.756828256e+00 2.58 -3.660000619e+00 -3.913770697e+00 -3.827881710e+00 2.60 -3.600479665e+00 -3.935527481e+00 -3.885256475e+00 2.62 -3.538164689e+00 -3.949851753e+00 -3.930014036e+00 2.64 -3.473816261e+00 -3.956804586e+00 -3.963160088e+00 2.66 -3.408037417e+00 -3.956412425e+00 -3.986405347e+00 2.68 -3.341285337e+00 -3.948773375e+00 -4.000980738e+00 2.70 -3.273894954e+00 -3.934057783e+00 -4.007208165e+00 2.72 -3.206106901e+00 -3.912501442e+00 -4.005451086e+00 2.74 -3.138094434e+00 -3.884428479e+00 -3.996101207e+00 2.76 -3.069986493e+00 -3.850315170e+00 -3.979671092e+00 2.78 -3.001885832e+00 -3.810669876e+00 -3.956766008e+00 2.80 -2.933882097e+00 -3.765993308e+00 -3.928035844e+00 2.82 -2.866060223e+00 -3.716778121e+00 -3.894183821e+00 2.84 -2.798504918e+00 -3.663512700e+00 -3.855952353e+00 2.86 -2.731302138e+00 -3.606688152e+00 -3.813973233e+00 2.88 -2.664538538e+00 -3.546805319e+00 -3.768754523e+00 2.90 -2.598299727e+00 -3.484377515e+00 -3.720695869e+00 2.92 -2.532667995e+00 -3.419925442e+00 -3.670111584e+00 2.94 -2.467719996e+00 -3.353963226e+00 -3.617254879e+00 2.96 -2.403524676e+00 -3.286977841e+00 -3.562338820e+00 2.98 -2.340141683e+00 -3.219406923e+00 -3.505552126e+00 3.00 -2.277620368e+00 -3.151620807e+00 -3.447069790e+00 3.02 -2.215999471e+00 -3.083913149e+00 -3.387059522e+00 3.04 -2.155307522e+00 -3.016501553e+00 -3.325685336e+00 3.06 -2.095563933e+00 -2.949536597e+00 -3.263109405e+00 3.08 -2.036780683e+00 -2.883115881e+00 -3.199493033e+00 3.10 -1.978964430e+00 -2.817299408e+00 -3.134997149e+00 3.12 -1.922118809e+00 -2.752123486e+00 -3.069782451e+00 3.14 -1.866246659e+00 -2.687611616e+00 -3.004009054e+00 3.16 -1.811351894e+00 -2.623781972e+00 -2.937835522e+00 3.18 -1.757440837e+00 -2.560651891e+00 -2.871417284e+00 3.20 -1.704522871e+00 -2.498240085e+00 -2.804904725e+00 3.22 -1.652610385e+00 -2.436567380e+00 -2.738441526e+00 3.24 -1.601718120e+00 -2.375656651e+00 -2.672163912e+00 3.26 -1.551862039e+00 -2.315532418e+00 -2.606201245e+00 3.28 -1.503057953e+00 -2.256220384e+00 -2.540677972e+00 3.30 -1.455320102e+00 -2.197747003e+00 -2.475716370e+00 3.32 -1.408659877e+00 -2.140139101e+00 -2.411439116e+00 3.34 -1.363084818e+00 -2.083423472e+00 -2.347970589e+00 3.36 -1.318597956e+00 -2.027626389e+00 -2.285436080e+00 3.38 -1.275197491e+00 -1.972773014e+00 -2.223958585e+00 3.40 -1.232876754e+00 -1.918886689e+00 -2.163653605e+00 3.42 -1.191624376e+00 -1.865988174e+00 -2.104622950e+00 3.44 -1.151424551e+00 -1.814094895e+00 -2.046948901e+00 3.46 -1.112257320e+00 -1.763220293e+00 -1.990689998e+00 3.48 -1.074098798e+00 -1.713373315e+00 -1.935879255e+00 3.50 -1.036921324e+00 -1.664558111e+00 -1.882524985e+00 3.52 -1.000693536e+00 -1.616773934e+00 -1.830613826e+00 3.54 -9.653803862e-01 -1.570015219e+00 -1.780115150e+00 3.56 -9.309431631e-01 -1.524271802e+00 -1.730986006e+00 3.58 -8.973395711e-01 -1.479529241e+00 -1.683175808e+00 3.60 -8.645239357e-01 -1.435769183e+00 -1.636630275e+00 3.62 -8.324476031e-01 -1.392969754e+00 -1.591294403e+00 3.64 -8.010596002e-01 -1.351105987e+00 -1.547114433e+00 3.66 -7.703076154e-01 -1.310150284e+00 -1.504038998e+00 3.68 -7.401393509e-01 -1.270072972e+00 -1.462019633e+00 3.70 -7.105042771e-01 -1.230842988e+00 -1.421010915e+00 3.72 -6.813557856e-01 -1.192428715e+00 -1.380970413e+00 3.74 -6.526536880e-01 -1.154798980e+00 -1.341858632e+00 3.76 -6.243669371e-01 -1.117924168e+00 -1.303639006e+00 3.78 -5.964763668e-01 -1.081777348e+00 -1.266278008e+00 3.80 -5.689771637e-01 -1.046335302e+00 -1.229745320e+00 3.82 -5.418807183e-01 -1.011579277e+00 -1.194014020e+00 3.84 -5.152154916e-01 -9.774953502e-01 -1.159060727e+00 3.86 -4.890265796e-01 -9.440742959e-01 -1.124865612e+00 3.88 -4.633737976e-01 -9.113109795e-01 -1.091412253e+00 3.90 -4.383283059e-01 -8.792033883e-01 -1.058687300e+00 3.92 -4.139680320e-01 -8.477515178e-01 -1.026679972e+00 3.94 -3.903723483e-01 -8.169563853e-01 -9.953814221e-01 3.96 -3.676165790e-01 -7.868194208e-01 -9.647840106e-01 3.98 -3.457669247e-01 -7.573424012e-01 -9.348805634e-01 4.00 -3.248762886e-01 -7.285279446e-01 -9.056636563e-01 4.02 -3.049813385e-01 -7.003804263e-01 -8.771249726e-01 4.04 -2.861009705e-01 -6.729070508e-01 -8.492547658e-01 4.06 -2.682361966e-01 -6.461187444e-01 -8.220414401e-01 4.08 -2.513713655e-01 -6.200305411e-01 -7.954712557e-01 4.10 -2.354765291e-01 -5.946612179e-01 -7.695281535e-01 4.12 -2.205106851e-01 -5.700320842e-01 -7.441936914e-01 4.14 -2.064255473e-01 -5.461649818e-01 -7.194470827e-01 4.16 -1.931694501e-01 -5.230797517e-01 -6.952653274e-01 4.18 -1.806909814e-01 -5.007915151e-01 -6.716234330e-01 4.20 -1.689419839e-01 -4.793081820e-01 -6.484947211e-01 4.22 -1.578796595e-01 -4.586285660e-01 -6.258512213e-01 4.24 -1.474676233e-01 -4.387413699e-01 -6.036641541e-01 4.26 -1.376759226e-01 -4.196251581e-01 -5.819045031e-01 4.28 -1.284801447e-01 -4.012492675e-01 -5.605436715e-01 4.30 -1.198598682e-01 -3.835754811e-01 -5.395542077e-01 4.32 -1.117967679e-01 -3.665602060e-01 -5.189105747e-01 4.34 -1.042727010e-01 -3.501568697e-01 -4.985899183e-01 4.36 -9.726805825e-02 -3.343182693e-01 -4.785727747e-01 4.38 -9.076058552e-02 -3.189986554e-01 -4.588436458e-01 4.40 -8.472476935e-02 -3.041553930e-01 -4.393913621e-01 4.42 -7.913178776e-02 -2.897501122e-01 -4.202091677e-01 4.44 -7.394993823e-02 -2.757493203e-01 -4.012944835e-01 4.46 -6.914541125e-02 -2.621245138e-01 -3.826483527e-01 4.48 -6.468326203e-02 -2.488518793e-01 -3.642746303e-01 4.50 -6.052844409e-02 -2.359117186e-01 -3.461790366e-01 4.52 -5.664679931e-02 -2.232877632e-01 -3.283682416e-01 4.54 -5.300593912e-02 -2.109665463e-01 -3.108491721e-01 4.56 -4.957579484e-02 -1.989369803e-01 -2.936286939e-01 4.58 -4.632950895e-02 -1.871902394e-01 -2.767137964e-01 4.60 -4.324394437e-02 -1.757199789e-01 -2.601122854e-01 4.62 -4.029957158e-02 -1.645228502e-01 -2.438339097e-01 4.64 -3.748064407e-02 -1.535992021e-01 -2.278917454e-01 4.66 -3.477522348e-02 -1.429538122e-01 -2.123035991e-01 4.68 -3.217506189e-02 -1.325964693e-01 -1.970931608e-01 4.70 -2.967534438e-02 -1.225422396e-01 -1.822906528e-01 4.72 -2.727430880e-02 -1.128112846e-01 -1.679327800e-01 4.74 -2.497275089e-02 -1.034281614e-01 -1.540618754e-01 4.76 -2.277343459e-02 -9.442061144e-02 -1.407242492e-01 4.78 -2.068043733e-02 -8.581791174e-02 -1.279678650e-01 4.80 -1.869846700e-02 -7.764894493e-02 -1.158395643e-01 4.82 -1.683203837e-02 -6.994019091e-02 -1.043821368e-01 4.84 -1.508520343e-02 -6.271382799e-02 -9.363154959e-02 4.86 -1.346102389e-02 -5.598616429e-02 -8.361463029e-02 4.88 -1.196108257e-02 -4.976651054e-02 -7.434743138e-02 4.90 -1.058528893e-02 -4.405659062e-02 -6.583437879e-02 4.92 -9.331834114e-03 -3.885052165e-02 -5.806825910e-02 4.94 -8.197277774e-03 -3.413526732e-02 -5.103095350e-02 4.96 -7.176737965e-03 -2.989135626e-02 -4.469476534e-02 4.98 -6.264150532e-03 -2.609446156e-02 -3.902413276e-02 5.00 -5.452564089e-03 -2.271640996e-02 -3.397752351e-02 5.02 -4.734440673e-03 -1.972638654e-02 -2.950937764e-02 5.04 -4.101938588e-03 -1.709194965e-02 -2.557181472e-02 5.06 -3.547161320e-03 -1.478043480e-02 -2.211623463e-02 5.08 -3.062363551e-03 -1.276004141e-02 -1.909525908e-02 5.10 -2.640111249e-03 -1.100007999e-02 -1.646299382e-02 5.12 -2.273397313e-03 -9.471515857e-03 -1.417623589e-02 5.14 -1.955717223e-03 -8.147329825e-03 -1.219486310e-02 5.16 -1.681110758e-03 -7.002722739e-03 -1.048196201e-02 5.18 -1.444176378e-03 -6.015195613e-03 -9.003986752e-03 5.20 -1.240064725e-03 -5.164535399e-03 -7.730764051e-03 5.22 -1.064457033e-03 -4.432732932e-03 -6.635387907e-03 5.24 -9.135333834e-04 -3.803855321e-03 -5.694040114e-03 5.26 -7.839348184e-04 -3.263890664e-03 -4.885765287e-03 5.28 -6.727224183e-04 -2.800578815e-03 -4.192222361e-03 5.30 -5.773356606e-04 -2.403238413e-03 -3.597428705e-03 5.32 -4.955517070e-04 -2.062597326e-03 -3.087508250e-03 5.34 -4.254467183e-04 -1.770631324e-03 -2.650451182e-03 5.36 -3.653598778e-04 -1.520413927e-03 -2.275889920e-03 5.38 -3.138604826e-04 -1.305979012e-03 -1.954893892e-03 5.40 -2.697182350e-04 -1.122196748e-03 -1.679784095e-03 5.42 -2.318767029e-04 -9.646627713e-04 -1.443967348e-03 5.44 -1.994298147e-04 -8.296000331e-04 -1.241789458e-03 5.46 -1.716011864e-04 -7.137724792e-04 -1.068406055e-03 5.48 -1.477260446e-04 -6.144095830e-04 -9.196696455e-04 5.50 -1.272354949e-04 -5.291406773e-04 -7.920313270e-04 5.52 -1.096428859e-04 -4.559380412e-04 -6.824555921e-04 5.54 -9.453202774e-05 -3.930677359e-04 -5.883465058e-04 5.56 -8.154704096e-05 -3.390472488e-04 -5.074852441e-04 5.58 -7.038362925e-05 -2.926090863e-04 -4.379741219e-04 5.60 -6.078159068e-05 -2.526695348e-04 -3.781908443e-04 5.62 -5.251840086e-05 -2.183018987e-04 -3.267481762e-04 5.64 -4.540372131e-05 -1.887135992e-04 -2.824596591e-04 5.66 -3.927470425e-05 -1.632265973e-04 -2.443103019e-04 5.68 -3.399198106e-05 -1.412606692e-04 -2.114315439e-04 5.70 -2.943623704e-05 -1.223191277e-04 -1.830798785e-04 5.72 -2.550528775e-05 -1.059766365e-04 -1.586186106e-04 5.74 -2.211158437e-05 -9.186881262e-05 -1.375022912e-04 5.76 -1.918008516e-05 -7.968335717e-05 -1.192634394e-04 5.78 -1.664643965e-05 -6.915248901e-05 -1.035012160e-04 5.80 -1.445543948e-05 -6.004649036e-05 -8.987176031e-05 5.82 -1.255969648e-05 -5.216820012e-05 -7.807994743e-05 5.84 -1.091851462e-05 -4.534831485e-05 -6.787235331e-05 5.86 -9.496927045e-06 -3.944137813e-05 -5.903125103e-05 5.88 -8.264873913e-06 -3.432235642e-05 -5.136948490e-05 5.90 -7.196500106e-06 -2.988371468e-05 -4.472609276e-05 5.92 -6.269555229e-06 -2.603291804e-05 -3.896256608e-05 5.94 -5.464880727e-06 -2.269029640e-05 -3.395965338e-05 5.96 -4.765971321e-06 -1.978721875e-05 -2.961462725e-05 5.98 -4.158599829e-06 -1.726453133e-05 -2.583894646e-05 6.00 -3.630496051e-06 -1.507122111e-05 -2.255625524e-05