# 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 = Cu3Ti # 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 1.484682733e+02 nan nan 1.16 1.355959597e+02 nan nan 1.18 1.238187789e+02 nan nan 1.20 1.130410597e+02 nan nan 1.22 1.031765286e+02 nan nan 1.24 9.414519481e+01 nan nan 1.26 8.587366811e+01 nan nan 1.28 7.829535117e+01 1.267702470e+02 1.472975198e+02 1.30 7.134894362e+01 1.165838799e+02 1.358220960e+02 1.32 6.497722243e+01 1.071974851e+02 1.252291017e+02 1.34 5.912764573e+01 9.854216052e+01 1.154454559e+02 1.36 5.375402800e+01 9.055651540e+01 1.064039797e+02 1.38 4.881716583e+01 8.318634475e+01 9.804366784e+01 1.40 4.428339983e+01 7.638300785e+01 9.030961536e+01 1.42 4.012228943e+01 7.010218990e+01 8.315233407e+01 1.44 3.630495944e+01 6.430321452e+01 7.652719743e+01 1.46 3.280355908e+01 5.894839706e+01 7.039399642e+01 1.48 2.959175929e+01 5.400232489e+01 6.471600177e+01 1.50 2.664510916e+01 4.943156436e+01 5.945897008e+01 1.52 2.394135061e+01 4.520503499e+01 5.459098334e+01 1.54 2.146066063e+01 4.129449230e+01 5.008290572e+01 1.56 1.918515276e+01 3.767455305e+01 4.590851398e+01 1.58 1.709800847e+01 3.432241842e+01 4.204398737e+01 1.60 1.518312076e+01 3.121780189e+01 3.846720686e+01 1.62 1.342520692e+01 2.834314538e+01 3.515726526e+01 1.64 1.181018706e+01 2.568316149e+01 3.209420012e+01 1.66 1.032554371e+01 2.322427025e+01 2.925896983e+01 1.68 8.960477376e+00 2.095398728e+01 2.663310033e+01 1.70 7.705799047e+00 1.886012350e+01 2.419880965e+01 1.72 6.553616581e+00 1.693031209e+01 2.193978402e+01 1.74 5.496966750e+00 1.515206540e+01 1.984190739e+01 1.76 4.529547413e+00 1.351310630e+01 1.789317816e+01 1.78 3.645586313e+00 1.200177540e+01 1.608331860e+01 1.80 2.839755240e+00 1.060738365e+01 1.440326868e+01 1.82 2.107039301e+00 9.320425361e+00 1.284483039e+01 1.84 1.442568405e+00 8.132585138e+00 1.140052186e+01 1.86 8.414717680e-01 7.036551496e+00 1.006355514e+01 1.88 2.988046742e-01 6.025739831e+00 8.827799043e+00 1.90 -1.904363142e-01 5.094047614e+00 7.687619576e+00 1.92 -6.312160136e-01 4.235715672e+00 6.637597217e+00 1.94 -1.028310510e+00 3.445312487e+00 5.672227961e+00 1.96 -1.386155181e+00 2.717808613e+00 4.785740802e+00 1.98 -1.708734784e+00 2.048668674e+00 3.972111109e+00 2.00 -1.999531824e+00 1.433880382e+00 3.225257432e+00 2.02 -2.261525221e+00 8.698884835e-01 2.539335933e+00 2.04 -2.497227505e+00 3.534694569e-01 1.909015525e+00 2.06 -2.708751986e+00 -1.183877161e-01 1.329635964e+00 2.08 -2.897900651e+00 -5.485508812e-01 7.972157932e-01 2.10 -3.066258310e+00 -9.397619611e-01 3.083435717e-01 2.12 -3.215279608e+00 -1.294628808e+00 -1.399832577e-01 2.14 -3.346356742e+00 -1.615620426e+00 -5.505194766e-01 2.16 -3.460856546e+00 -1.905078945e+00 -9.259026482e-01 2.18 -3.560121708e+00 -2.165247286e+00 -1.268734841e+00 2.20 -3.645476015e+00 -2.398303569e+00 -1.581601966e+00 2.22 -3.718149934e+00 -2.606392567e+00 -1.867025860e+00 2.24 -3.779161279e+00 -2.791645765e+00 -2.127370219e+00 2.26 -3.829431315e+00 -2.956186381e+00 -2.364741477e+00 2.28 -3.869799860e+00 -3.102119528e+00 -2.580929529e+00 2.30 -3.901054223e+00 -3.231506075e+00 -2.777408545e+00 2.32 -3.923968779e+00 -3.346317008e+00 -2.955388770e+00 2.34 -3.939327314e+00 -3.448365383e+00 -3.115891913e+00 2.36 -3.947835403e+00 -3.539229903e+00 -3.259823762e+00 2.38 -3.950216927e+00 -3.620200579e+00 -3.388028606e+00 2.40 -3.947932094e+00 -3.692315979e+00 -3.501321925e+00 2.42 -3.941310261e+00 -3.756237150e+00 -3.600507825e+00 2.44 -3.930159965e+00 -3.812404738e+00 -3.686390119e+00 2.46 -3.914428186e+00 -3.861155358e+00 -3.759785404e+00 2.48 -3.894162019e+00 -3.902781177e+00 -3.821588259e+00 2.50 -3.869484437e+00 -3.937569295e+00 -3.872696630e+00 2.52 -3.840575822e+00 -3.965821096e+00 -3.914017353e+00 2.54 -3.807667366e+00 -3.987841261e+00 -3.946551252e+00 2.56 -3.771082165e+00 -4.003858558e+00 -3.971372499e+00 2.58 -3.731147135e+00 -4.014169521e+00 -3.989581033e+00 2.60 -3.688146976e+00 -4.019213607e+00 -4.002234421e+00 2.62 -3.642322222e+00 -4.019254539e+00 -4.010264301e+00 2.64 -3.593875451e+00 -4.014713558e+00 -4.014332701e+00 2.66 -3.542982690e+00 -4.005409990e+00 -4.014888524e+00 2.68 -3.489806419e+00 -3.991266718e+00 -4.012617408e+00 2.70 -3.434507027e+00 -3.972338983e+00 -4.007899183e+00 2.72 -3.377250965e+00 -3.948790380e+00 -4.000251908e+00 2.74 -3.318215067e+00 -3.920865162e+00 -3.989293353e+00 2.76 -3.257587296e+00 -3.888873291e+00 -3.974748883e+00 2.78 -3.195564559e+00 -3.853140456e+00 -3.956444023e+00 2.80 -3.132348671e+00 -3.814001676e+00 -3.934294105e+00 2.82 -3.068141183e+00 -3.771768038e+00 -3.908292565e+00 2.84 -3.003138530e+00 -3.726696579e+00 -3.878499915e+00 2.86 -2.937527795e+00 -3.679001608e+00 -3.845066089e+00 2.88 -2.871483513e+00 -3.628872055e+00 -3.808221470e+00 2.90 -2.805165408e+00 -3.576488671e+00 -3.768218965e+00 2.92 -2.738716850e+00 -3.522037579e+00 -3.725321452e+00 2.94 -2.672264440e+00 -3.465718777e+00 -3.679792639e+00 2.96 -2.605918036e+00 -3.407749925e+00 -3.631888603e+00 2.98 -2.539772850e+00 -3.348366444e+00 -3.581852062e+00 3.00 -2.473912448e+00 -3.287818742e+00 -3.529909378e+00 3.02 -2.408412528e+00 -3.226366734e+00 -3.476272017e+00 3.04 -2.343344505e+00 -3.164271567e+00 -3.421140306e+00 3.06 -2.278778183e+00 -3.101785212e+00 -3.364708441e+00 3.08 -2.214783196e+00 -3.039138774e+00 -3.307168921e+00 3.10 -2.151429340e+00 -2.976532615e+00 -3.248714842e+00 3.12 -2.088786221e+00 -2.914129619e+00 -3.189538982e+00 3.14 -2.026922643e+00 -2.852053138e+00 -3.129829335e+00 3.16 -1.965905936e+00 -2.790388601e+00 -3.069761704e+00 3.18 -1.905801185e+00 -2.729188412e+00 -3.009490987e+00 3.20 -1.846670095e+00 -2.668477970e+00 -2.949143404e+00 3.22 -1.788569247e+00 -2.608261998e+00 -2.888812093e+00 3.24 -1.731547769e+00 -2.548530495e+00 -2.828557349e+00 3.26 -1.675644809e+00 -2.489264147e+00 -2.768412204e+00 3.28 -1.620887491e+00 -2.430439161e+00 -2.708391974e+00 3.30 -1.567289902e+00 -2.372031568e+00 -2.648505799e+00 3.32 -1.514853335e+00 -2.314020929e+00 -2.588767644e+00 3.34 -1.463567437e+00 -2.256393365e+00 -2.529204504e+00 3.36 -1.413411732e+00 -2.199143771e+00 -2.469860379e+00 3.38 -1.364357049e+00 -2.142277165e+00 -2.410795830e+00 3.40 -1.316366844e+00 -2.085809175e+00 -2.352084020e+00 3.42 -1.269398716e+00 -2.029765880e+00 -2.293804971e+00 3.44 -1.223407001e+00 -1.974182921e+00 -2.236039812e+00 3.46 -1.178345840e+00 -1.919104418e+00 -2.178866301e+00 3.48 -1.134174017e+00 -1.864581490e+00 -2.122356143e+00 3.50 -1.090860107e+00 -1.810670504e+00 -2.066573841e+00 3.52 -1.048387680e+00 -1.757430910e+00 -2.011576904e+00 3.54 -1.006759619e+00 -1.704922566e+00 -1.957415920e+00 3.56 -9.660007104e-01 -1.653202562e+00 -1.904135338e+00 3.58 -9.261577585e-01 -1.602321796e+00 -1.851773786e+00 3.60 -8.872967688e-01 -1.552321814e+00 -1.800364285e+00 3.62 -8.494971573e-01 -1.503232555e+00 -1.749934364e+00 3.64 -8.128435217e-01 -1.455071611e+00 -1.700506113e+00 3.66 -7.774160549e-01 -1.407845287e+00 -1.652096270e+00 3.68 -7.432810672e-01 -1.361551416e+00 -1.604716344e+00 3.70 -7.104831493e-01 -1.316183478e+00 -1.558372804e+00 3.72 -6.790401943e-01 -1.271735364e+00 -1.513067323e+00 3.74 -6.489419144e-01 -1.228206057e+00 -1.468797055e+00 3.76 -6.201517980e-01 -1.185603514e+00 -1.425554935e+00 3.78 -5.926118830e-01 -1.143947187e+00 -1.383329983e+00 3.80 -5.662493723e-01 -1.103268748e+00 -1.342107605e+00 3.82 -5.409840361e-01 -1.063610841e+00 -1.301869884e+00 3.84 -5.167354583e-01 -1.025023898e+00 -1.262595853e+00 3.86 -4.934293918e-01 -9.875614144e-01 -1.224261774e+00 3.88 -4.710027168e-01 -9.512742939e-01 -1.186841399e+00 3.90 -4.494066898e-01 -9.162050883e-01 -1.150306260e+00 3.92 -4.286083180e-01 -8.823829470e-01 -1.114625925e+00 3.94 -4.085899839e-01 -8.498200813e-01 -1.079768480e+00 3.96 -3.893471565e-01 -8.185098053e-01 -1.045700631e+00 3.98 -3.708849633e-01 -7.884266522e-01 -1.012388239e+00 4.00 -3.532137597e-01 -7.595279530e-01 -9.797966187e-01 4.02 -3.363444407e-01 -7.317565679e-01 -9.478908441e-01 4.04 -3.202840904e-01 -7.050442220e-01 -9.166359496e-01 4.06 -3.050325070e-01 -6.793149750e-01 -8.859970010e-01 4.08 -2.905799633e-01 -6.544884721e-01 -8.559390066e-01 4.10 -2.769063320e-01 -6.304827106e-01 -8.264266920e-01 4.12 -2.639814797e-01 -6.072166208e-01 -7.974242118e-01 4.14 -2.517666684e-01 -5.846115373e-01 -7.688949316e-01 4.16 -2.402166164e-01 -5.625929695e-01 -7.408014473e-01 4.18 -2.292818647e-01 -5.410917713e-01 -7.131060189e-01 4.20 -2.189111547e-01 -5.200452563e-01 -6.857715518e-01 4.22 -2.090536033e-01 -4.993982855e-01 -6.587631908e-01 4.24 -1.996605597e-01 -4.791043930e-01 -6.320504947e-01 4.26 -1.906869974e-01 -4.591269660e-01 -6.056100638e-01 4.28 -1.820925275e-01 -4.394404465e-01 -5.794284120e-01 4.30 -1.738429255e-01 -4.200314619e-01 -5.535048059e-01 4.32 -1.659098586e-01 -4.008997435e-01 -5.278537518e-01 4.34 -1.582710398e-01 -3.820586517e-01 -5.025067913e-01 4.36 -1.509101280e-01 -3.635351103e-01 -4.775132735e-01 4.38 -1.438164814e-01 -3.453687720e-01 -4.529398291e-01 4.40 -1.369843138e-01 -3.276102938e-01 -4.288683711e-01 4.42 -1.304119465e-01 -3.103187029e-01 -4.053926053e-01 4.44 -1.241006975e-01 -2.935579590e-01 -3.826132249e-01 4.46 -1.180536929e-01 -2.773929538e-01 -3.606321658e-01 4.48 -1.122746569e-01 -2.618853020e-01 -3.395464648e-01 4.50 -1.067667797e-01 -2.470893356e-01 -3.194423520e-01 4.52 -1.015317270e-01 -2.330487052e-01 -3.003901266e-01 4.54 -9.656904694e-02 -2.197939121e-01 -2.824407483e-01 4.56 -9.187554233e-02 -2.073409603e-01 -2.656233259e-01 4.58 -8.744525941e-02 -1.956911617e-01 -2.499451025e-01 4.60 -8.326955905e-02 -1.848319804e-01 -2.353925859e-01 4.62 -7.933742366e-02 -1.747386940e-01 -2.219339913e-01 4.64 -7.563589615e-02 -1.653765920e-01 -2.095224962e-01 4.66 -7.215058301e-02 -1.567034268e-01 -1.980998820e-01 4.68 -6.886616299e-02 -1.486718707e-01 -1.876001859e-01 4.70 -6.576685698e-02 -1.412317878e-01 -1.779530755e-01 4.72 -6.283683086e-02 -1.343319658e-01 -1.690867599e-01 4.74 -6.006051802e-02 -1.279222041e-01 -1.609303477e-01 4.76 -5.742286011e-02 -1.219544804e-01 -1.534155799e-01 4.78 -5.490947328e-02 -1.163835288e-01 -1.464779120e-01 4.80 -5.250675197e-02 -1.111674391e-01 -1.400579968e-01 4.82 -5.020192509e-02 -1.062682130e-01 -1.341015587e-01 4.84 -4.798307972e-02 -1.016516731e-01 -1.285594563e-01 4.86 -4.583916677e-02 -9.728769289e-02 -1.233876267e-01 4.88 -4.376000130e-02 -9.315008033e-02 -1.185468615e-01 4.90 -4.173626851e-02 -8.921643535e-02 -1.140024775e-01 4.92 -3.975954405e-02 -8.546794874e-02 -1.097239295e-01 4.94 -3.782233503e-02 -8.188914949e-02 -1.056844003e-01 4.96 -3.591814543e-02 -7.846760243e-02 -1.018603908e-01 4.98 -3.404156576e-02 -7.519355536e-02 -9.823132760e-02 5.00 -3.218838424e-02 -7.205953867e-02 -9.477919607e-02 5.02 -3.035571216e-02 -6.905992425e-02 -9.148820556e-02 5.04 -2.854211044e-02 -6.619045894e-02 -8.834448741e-02 5.06 -2.674770070e-02 -6.344779510e-02 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