# 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 = Pb3Zr # 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 5.737336094e+02 nan nan 1.16 5.344362495e+02 nan nan 1.18 4.980691182e+02 nan nan 1.20 4.643844049e+02 nan nan 1.22 4.331566858e+02 nan nan 1.24 4.041813956e+02 nan nan 1.26 3.772743848e+02 nan nan 1.28 3.522702620e+02 5.089501848e+02 5.713930282e+02 1.30 3.290189432e+02 4.771791891e+02 5.363133834e+02 1.32 3.073827985e+02 4.475549120e+02 5.035772437e+02 1.34 2.872357410e+02 4.199098780e+02 4.730048645e+02 1.36 2.684628061e+02 3.940914361e+02 4.444325619e+02 1.38 2.509593189e+02 3.699610730e+02 4.177112176e+02 1.40 2.346296827e+02 3.473933015e+02 3.927051206e+02 1.42 2.193862971e+02 3.262746656e+02 3.692905228e+02 1.44 2.051486965e+02 3.065023058e+02 3.473542218e+02 1.46 1.918431379e+02 2.879818217e+02 3.267922914e+02 1.48 1.794020873e+02 2.706253626e+02 3.075089375e+02 1.50 1.677636038e+02 2.543510313e+02 2.894152107e+02 1.52 1.568710503e+02 2.390831351e+02 2.724283591e+02 1.54 1.466727296e+02 2.247522390e+02 2.564719559e+02 1.56 1.371212715e+02 2.112945646e+02 2.414758939e+02 1.58 1.281728150e+02 1.986510926e+02 2.273759410e+02 1.60 1.197864028e+02 1.867670286e+02 2.141130579e+02 1.62 1.119238613e+02 1.755917518e+02 2.016328157e+02 1.64 1.045497491e+02 1.650789169e+02 1.898849992e+02 1.66 9.763115537e+01 1.551862689e+02 1.788230833e+02 1.68 9.113774588e+01 1.458751242e+02 1.684036030e+02 1.70 8.504130596e+01 1.371095366e+02 1.585857762e+02 1.72 7.931659158e+01 1.288556051e+02 1.493314052e+02 1.74 7.395520467e+01 1.210810838e+02 1.406049843e+02 1.76 6.893759912e+01 1.137554043e+02 1.323736710e+02 1.78 6.424093580e+01 1.068498879e+02 1.246070633e+02 1.80 5.984404757e+01 1.003379516e+02 1.172767443e+02 1.82 5.572725137e+01 9.419514938e+01 1.103559419e+02 1.84 5.187225502e+01 8.839942420e+01 1.038193673e+02 1.86 4.826211636e+01 8.293004563e+01 9.764337597e+01 1.88 4.488116963e+01 7.777136080e+01 9.180623631e+01 1.90 4.171489209e+01 7.291766510e+01 8.628827922e+01 1.92 3.874973293e+01 6.835192238e+01 8.107108124e+01 1.94 3.597294360e+01 6.405584470e+01 7.614535226e+01 1.96 3.337251474e+01 6.001226553e+01 7.150432883e+01 1.98 3.093715748e+01 5.620521227e+01 6.713128037e+01 2.00 2.865629831e+01 5.261992316e+01 6.301023091e+01 2.02 2.652005756e+01 4.924279901e+01 5.912601786e+01 2.04 2.451920820e+01 4.606131325e+01 5.546435672e+01 2.06 2.264513680e+01 4.306390896e+01 5.201191460e+01 2.08 2.088981715e+01 4.023991049e+01 4.875629728e+01 2.10 1.924577720e+01 3.757943730e+01 4.568602103e+01 2.12 1.770606361e+01 3.507331891e+01 4.279041666e+01 2.14 1.626420279e+01 3.271301005e+01 4.005951305e+01 2.16 1.491416594e+01 3.049049017e+01 3.748392207e+01 2.18 1.365032912e+01 2.839817386e+01 3.505474780e+01 2.20 1.246743464e+01 2.642884536e+01 3.276356423e+01 2.22 1.136055703e+01 2.457561795e+01 3.060236977e+01 2.24 1.032507358e+01 2.283191610e+01 2.856361982e+01 2.26 9.356646342e+00 2.119147119e+01 2.664022650e+01 2.28 8.451213788e+00 1.964833445e+01 2.482555808e+01 2.30 7.604989731e+00 1.819686428e+01 2.311343199e+01 2.32 6.814452909e+00 1.683174104e+01 2.149809577e+01 2.34 6.076326862e+00 1.554793393e+01 1.997420361e+01 2.36 5.387547373e+00 1.434069759e+01 1.853678755e+01 2.38 4.745216697e+00 1.320555493e+01 1.718123253e+01 2.40 4.146581028e+00 1.213828838e+01 1.590322980e+01 2.42 3.588944039e+00 1.113493194e+01 1.469874190e+01 2.44 3.069817050e+00 1.019176647e+01 1.356395725e+01 2.46 2.586864342e+00 9.305307826e+00 1.249525387e+01 2.48 2.137857029e+00 8.472293289e+00 1.148917479e+01 2.50 1.720681853e+00 7.689665331e+00 1.054240915e+01 2.52 1.333345430e+00 6.954555246e+00 9.651785590e+00 2.54 9.739740448e-01 6.264268442e+00 8.814259052e+00 2.56 6.408114530e-01 5.616272015e+00 8.026904084e+00 2.58 3.322876279e-01 5.008184462e+00 7.286911240e+00 2.60 4.702580810e-02 4.437766734e+00 6.591588737e+00 2.62 -2.162864390e-01 3.902907313e+00 5.938367642e+00 2.64 -4.589109544e-01 3.401569703e+00 5.324811516e+00 2.66 -6.820599313e-01 2.931920184e+00 4.748616951e+00 2.68 -8.868967468e-01 2.492240048e+00 4.207617711e+00 2.70 -1.074536013e+00 2.080887642e+00 3.699778268e+00 2.72 -1.246043576e+00 1.696292447e+00 3.223137983e+00 2.74 -1.402436849e+00 1.336951977e+00 2.775929661e+00 2.76 -1.544685337e+00 1.001431499e+00 2.356523154e+00 2.78 -1.673709525e+00 6.883671153e-01 1.963378482e+00 2.80 -1.790385177e+00 3.964771886e-01 1.595040069e+00 2.82 -1.895533384e+00 1.246533018e-01 1.250134375e+00 2.84 -1.989924872e+00 -1.281279054e-01 9.273639510e-01 2.86 -2.074277655e+00 -3.628479566e-01 6.255035729e-01 2.88 -2.149260080e+00 -5.804459730e-01 3.433989866e-01 2.90 -2.215491630e+00 -7.818193377e-01 8.002587232e-02 2.92 -2.273546818e+00 -9.678252488e-01 -1.655235230e-01 2.94 -2.323968263e+00 -1.139282714e+00 -3.941180902e-01 2.96 -2.367256751e+00 -1.296974693e+00 -6.065891749e-01 2.98 -2.403885193e+00 -1.441650225e+00 -8.037372331e-01 3.00 -2.434299148e+00 -1.574026473e+00 -9.863236660e-01 3.02 -2.458919619e+00 -1.694790652e+00 -1.155080585e+00 3.04 -2.478145460e+00 -1.804600513e+00 -1.310712370e+00 3.06 -2.492355532e+00 -1.904091952e+00 -1.453899154e+00 3.08 -2.501910677e+00 -1.993871751e+00 -1.585300041e+00 3.10 -2.507155583e+00 -2.074526025e+00 -1.705555740e+00 3.12 -2.508420492e+00 -2.146618929e+00 -1.815290289e+00 3.14 -2.506022588e+00 -2.210701309e+00 -1.915111544e+00 3.16 -2.500266809e+00 -2.267301218e+00 -2.005610087e+00 3.18 -2.491445852e+00 -2.316931691e+00 -2.087356487e+00 3.20 -2.479839387e+00 -2.360087607e+00 -2.160896164e+00 3.22 -2.465712743e+00 -2.397243466e+00 -2.226749376e+00 3.24 -2.449315427e+00 -2.428850663e+00 -2.285400119e+00 3.26 -2.430948602e+00 -2.455335040e+00 -2.337298996e+00 3.28 -2.410840062e+00 -2.477095275e+00 -2.382861766e+00 3.30 -2.389097289e+00 -2.494502239e+00 -2.422471297e+00 3.32 -2.365830273e+00 -2.507899024e+00 -2.456481016e+00 3.34 -2.341148445e+00 -2.517601241e+00 -2.485219139e+00 3.36 -2.315160546e+00 -2.523897383e+00 -2.508993099e+00 3.38 -2.287969761e+00 -2.527049344e+00 -2.528093810e+00 3.40 -2.259675217e+00 -2.527292242e+00 -2.542799567e+00 3.42 -2.230367486e+00 -2.524840804e+00 -2.553379500e+00 3.44 -2.200134298e+00 -2.519884061e+00 -2.560096492e+00 3.46 -2.169030135e+00 -2.512593399e+00 -2.563209431e+00 3.48 -2.137116573e+00 -2.503123881e+00 -2.562974634e+00 3.50 -2.104459982e+00 -2.491628933e+00 -2.559643044e+00 3.52 -2.071134436e+00 -2.478255566e+00 -2.553473223e+00 3.54 -2.037216990e+00 -2.463100284e+00 -2.544708363e+00 3.56 -2.002789876e+00 -2.446275024e+00 -2.533589289e+00 3.58 -1.967938457e+00 -2.427904499e+00 -2.520348094e+00 3.60 -1.932749842e+00 -2.408033476e+00 -2.505206005e+00 3.62 -1.897311445e+00 -2.386709441e+00 -2.488371715e+00 3.64 -1.861709449e+00 -2.363986908e+00 -2.470076198e+00 3.66 -1.826027056e+00 -2.339927210e+00 -2.450550318e+00 3.68 -1.790342463e+00 -2.314598374e+00 -2.429890823e+00 3.70 -1.754726743e+00 -2.288071875e+00 -2.408188600e+00 3.72 -1.719241934e+00 -2.260421842e+00 -2.385531901e+00 3.74 -1.683939764e+00 -2.231730846e+00 -2.362004251e+00 3.76 -1.648861289e+00 -2.202087360e+00 -2.337683073e+00 3.78 -1.614037521e+00 -2.171577358e+00 -2.312639142e+00 3.80 -1.579490877e+00 -2.140293151e+00 -2.286936832e+00 3.82 -1.545237141e+00 -2.108335359e+00 -2.260634701e+00 3.84 -1.511287579e+00 -2.075810702e+00 -2.233782439e+00 3.86 -1.477650924e+00 -2.042829391e+00 -2.206411702e+00 3.88 -1.444335021e+00 -2.009502043e+00 -2.178552723e+00 3.90 -1.411348062e+00 -1.975936244e+00 -2.150237652e+00 3.92 -1.378697224e+00 -1.942231164e+00 -2.121496861e+00 3.94 -1.346398146e+00 -1.908482524e+00 -2.092372703e+00 3.96 -1.314460726e+00 -1.874767626e+00 -2.062896585e+00 3.98 -1.282899042e+00 -1.841153053e+00 -2.033104126e+00 4.00 -1.251728342e+00 -1.807692241e+00 -2.003030358e+00 4.02 -1.220964606e+00 -1.774426429e+00 -1.972709157e+00 4.04 -1.190624045e+00 -1.741386275e+00 -1.942172735e+00 4.06 -1.160722607e+00 -1.708593818e+00 -1.911451238e+00 4.08 -1.131275506e+00 -1.676064442e+00 -1.880572464e+00 4.10 -1.102296808e+00 -1.643802440e+00 -1.849561710e+00 4.12 -1.073799107e+00 -1.611828295e+00 -1.818441778e+00 4.14 -1.045793279e+00 -1.580139146e+00 -1.787233122e+00 4.16 -1.018288332e+00 -1.548738045e+00 -1.755954151e+00 4.18 -9.912913439e-01 -1.517626976e+00 -1.724621669e+00 4.20 -9.648053158e-01 -1.486807238e+00 -1.693251427e+00 4.22 -9.388382729e-01 -1.456279723e+00 -1.661858750e+00 4.24 -9.133892389e-01 -1.426045161e+00 -1.630459204e+00 4.26 -8.884583127e-01 -1.396104331e+00 -1.599069242e+00 4.28 -8.640442359e-01 -1.366458280e+00 -1.567706787e+00 4.30 -8.401445802e-01 -1.337108537e+00 -1.536391708e+00 4.32 -8.167559248e-01 -1.308057317e+00 -1.505146149e+00 4.34 -7.938740149e-01 -1.279307700e+00 -1.473994719e+00 4.36 -7.714908938e-01 -1.250863778e+00 -1.442964517e+00 4.38 -7.496075520e-01 -1.222730738e+00 -1.412085007e+00 4.40 -7.282142889e-01 -1.194914891e+00 -1.381387759e+00 4.42 -7.073045918e-01 -1.167423629e+00 -1.350906039e+00 4.44 -6.868715090e-01 -1.140265316e+00 -1.320674257e+00 4.46 -6.669076623e-01 -1.113449120e+00 -1.290727274e+00 4.48 -6.474052489e-01 -1.086984798e+00 -1.261099587e+00 4.50 -6.283560355e-01 -1.060882440e+00 -1.231824434e+00 4.52 -6.097492012e-01 -1.035152209e+00 -1.202924254e+00 4.54 -5.915803283e-01 -1.009804068e+00 -1.174445813e+00 4.56 -5.738372714e-01 -9.848475221e-01 -1.146403215e+00 4.58 -5.565100932e-01 -9.602913937e-01 -1.118816839e+00 4.60 -5.395884762e-01 -9.361436195e-01 -1.091702826e+00 4.62 -5.230617766e-01 -9.124110945e-01 -1.065073184e+00 4.64 -5.069190999e-01 -8.890995537e-01 -1.038936113e+00 4.66 -4.911493993e-01 -8.662134958e-01 -1.013296475e+00 4.68 -4.757416010e-01 -8.437561433e-01 -9.881563401e-01 4.70 -4.606847550e-01 -8.217294375e-01 -9.635155398e-01 4.72 -4.459682117e-01 -8.001340605e-01 -9.393721887e-01 4.74 -4.315818235e-01 -7.789694801e-01 -9.157231315e-01 4.76 -4.175161646e-01 -7.582340110e-01 -8.925643104e-01 4.78 -4.037627637e-01 -7.379248866e-01 -8.698910492e-01 4.80 -3.903143364e-01 -7.180333486e-01 -8.476982611e-01 4.82 -3.771650030e-01 -6.985655069e-01 -8.259805933e-01 4.84 -3.643104726e-01 -6.795098940e-01 -8.047325194e-01 4.86 -3.517481710e-01 -6.608602569e-01 -7.839483938e-01 4.88 -3.394772907e-01 -6.426096689e-01 -7.636224772e-01 4.90 -3.274987398e-01 -6.247506142e-01 -7.437489439e-01 4.92 -3.158149763e-01 -6.072750749e-01 -7.243218769e-01 4.94 -3.044297182e-01 -5.901746223e-01 -7.053352569e-01 4.96 -2.933475367e-01 -5.734405142e-01 -6.867829492e-01 4.98 -2.825733491e-01 -5.570638015e-01 -6.686586912e-01 5.00 -2.721118462e-01 -5.410354440e-01 -6.509560818e-01 5.02 -2.619668974e-01 -5.253464371e-01 -6.336685749e-01 5.04 -2.521409835e-01 -5.099879491e-01 -6.167894763e-01 5.06 -2.426347072e-01 -4.949514666e-01 -6.003119432e-01 5.08 -2.334464233e-01 -4.802289454e-01 -5.842289889e-01 5.10 -2.245720175e-01 -4.658129613e-01 -5.685334879e-01 5.12 -2.160048466e-01 -4.516968538e-01 -5.532181843e-01 5.14 -2.077358358e-01 -4.378748553e-01 -5.382757014e-01 5.16 -1.997537131e-01 -4.243421954e-01 -5.236985513e-01 5.18 -1.920453525e-01 -4.110951710e-01 -5.094791451e-01 5.20 -1.845961900e-01 -3.981311757e-01 -4.956098028e-01 5.22 -1.773906785e-01 -3.854486805e-01 -4.820827621e-01 5.24 -1.704127493e-01 -3.730471649e-01 -4.688901867e-01 5.26 -1.636462544e-01 -3.609270010e-01 -4.560241731e-01 5.28 -1.570753716e-01 -3.490892976e-01 -4.434767557e-01 5.30 -1.506849601e-01 -3.375357151e-01 -4.312399118e-01 5.32 -1.444608599e-01 -3.262682660e-01 -4.193055635e-01 5.34 -1.383901352e-01 -3.152891147e-01 -4.076655798e-01 5.36 -1.324612622e-01 -3.046003874e-01 -3.963117765e-01 5.38 -1.266642667e-01 -2.942040005e-01 -3.852359153e-01 5.40 -1.209908187e-01 -2.841015080e-01 -3.744297020e-01 5.42 -1.154342902e-01 -2.742939640e-01 -3.638847842e-01 5.44 -1.099897839e-01 -2.647817930e-01 -3.535927475e-01 5.46 -1.046541409e-01 -2.555646601e-01 -3.435451130e-01 5.48 -9.942593197e-02 -2.466413351e-01 -3.337333338e-01 5.50 -9.430543462e-02 -2.380095529e-01 -3.241487927e-01 5.52 -8.929459474e-02 -2.296658753e-01 -3.147828008e-01 5.54 -8.439696616e-02 -2.216055678e-01 -3.056238766e-01 5.56 -7.961761384e-02 -2.138225081e-01 -2.966690264e-01 5.58 -7.496295479e-02 -2.063091421e-01 -2.879061850e-01 5.60 -7.044043627e-02 -1.990564989e-01 -2.793264149e-01 5.62 -6.605858274e-02 -1.920542713e-01 -2.709207383e-01 5.64 -6.182648037e-02 -1.852909590e-01 -2.626801575e-01 5.66 -5.775329177e-02 -1.787540658e-01 -2.545956821e-01 5.68 -5.384779066e-02 -1.724303372e-01 -2.466583649e-01 5.70 -5.011787796e-02 -1.663060206e-01 -2.388593463e-01 5.72 -4.657011501e-02 -1.603671332e-01 -2.311899099e-01 5.74 -4.320932233e-02 -1.545997232e-01 -2.236415479e-01 5.76 -4.003827607e-02 -1.489901129e-01 -2.162060393e-01 5.78 -3.705752961e-02 -1.435251188e-01 -2.088755391e-01 5.80 -3.426537295e-02 -1.381922443e-01 -2.016426800e-01 5.82 -3.165792750e-02 -1.329798448e-01 -1.945006830e-01 5.84 -2.922935943e-02 -1.278772659e-01 -1.874434774e-01 5.86 -2.697211512e-02 -1.228749590e-01 -1.804658255e-01 5.88 -2.487670984e-02 -1.179645745e-01 -1.735634489e-01 5.90 -2.293361854e-02 -1.131390343e-01 -1.667331496e-01 5.92 -2.113298844e-02 -1.083925841e-01 -1.599729222e-01 5.94 -1.946472354e-02 -1.037208256e-01 -1.532820480e-01 5.96 -1.791881693e-02 -9.912072596e-02 -1.466611646e-01 5.98 -1.648562135e-02 -9.459060376e-02 -1.401123058e-01 6.00 -1.515605387e-02 -9.013008858e-02 -1.336389027e-01