# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Na3Rb # 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 2022-05-24 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 6.320022334e+02 nan nan 1.14 5.910971489e+02 nan nan 1.16 5.531785031e+02 nan nan 1.18 5.179937913e+02 nan nan 1.20 4.853179865e+02 nan nan 1.22 4.549446144e+02 nan nan 1.24 4.266881838e+02 nan nan 1.26 4.003806791e+02 nan nan 1.28 3.758718000e+02 5.290542629e+02 nan 1.30 3.530196279e+02 4.982551580e+02 5.570020155e+02 1.32 3.316980913e+02 4.694604501e+02 5.253010165e+02 1.34 3.117875958e+02 4.425218762e+02 4.956280318e+02 1.36 2.931831437e+02 4.173036856e+02 4.678341526e+02 1.38 2.757856798e+02 3.936774273e+02 4.417827124e+02 1.40 2.595047283e+02 3.715284927e+02 4.173447489e+02 1.42 2.442586882e+02 3.507527700e+02 3.944082264e+02 1.44 2.299732351e+02 3.312523788e+02 3.728661859e+02 1.46 2.165794211e+02 3.129368283e+02 3.526193344e+02 1.48 2.040148166e+02 2.957232503e+02 3.335798518e+02 1.50 1.922222734e+02 2.795384356e+02 3.156629013e+02 1.52 1.811487811e+02 2.643114851e+02 2.987928045e+02 1.54 1.707467892e+02 2.499798863e+02 2.828995045e+02 1.56 1.609711490e+02 2.364829308e+02 2.679192301e+02 1.58 1.517802265e+02 2.237645746e+02 2.537910186e+02 1.60 1.431366705e+02 2.117765373e+02 2.404592057e+02 1.62 1.350058560e+02 2.004717049e+02 2.278754094e+02 1.64 1.273545181e+02 1.898060756e+02 2.159922841e+02 1.66 1.201508559e+02 1.797391369e+02 2.047664190e+02 1.68 1.133668519e+02 1.702325730e+02 1.941567250e+02 1.70 1.069768978e+02 1.612517939e+02 1.841265988e+02 1.72 1.009561767e+02 1.527650082e+02 1.746425225e+02 1.74 9.528122713e+01 1.447431828e+02 1.656717108e+02 1.76 8.993017438e+01 1.371583898e+02 1.571841752e+02 1.78 8.488144705e+01 1.299841503e+02 1.491517427e+02 1.80 8.011807244e+01 1.231965714e+02 1.415462995e+02 1.82 7.562264544e+01 1.167730162e+02 1.343446464e+02 1.84 7.137891674e+01 1.106926129e+02 1.275242887e+02 1.86 6.737170418e+01 1.049363369e+02 1.210631508e+02 1.88 6.358678837e+01 9.948530782e+01 1.149400833e+02 1.90 6.001101473e+01 9.432225964e+01 1.091362600e+02 1.92 5.663184420e+01 8.943118001e+01 1.036329203e+02 1.94 5.343893234e+01 8.479736163e+01 9.841309838e+01 1.96 5.042170211e+01 8.040632670e+01 9.346143454e+01 1.98 4.757015196e+01 7.624444559e+01 8.876291997e+01 2.00 4.487493307e+01 7.229835715e+01 8.430347894e+01 2.02 4.232728313e+01 6.855633211e+01 8.006972955e+01 2.04 3.991897013e+01 6.500684744e+01 7.604915311e+01 2.06 3.764204691e+01 6.164032220e+01 7.222948241e+01 2.08 3.548899121e+01 5.844647908e+01 6.860036329e+01 2.10 3.345343236e+01 5.541567136e+01 6.515122619e+01 2.12 3.152846827e+01 5.253883786e+01 6.187286490e+01 2.14 2.970852883e+01 4.980746499e+01 5.875609859e+01 2.16 2.798770746e+01 4.721336054e+01 5.579238877e+01 2.18 2.636042382e+01 4.474893145e+01 5.297361386e+01 2.20 2.482168404e+01 4.240758148e+01 5.029275701e+01 2.22 2.336643299e+01 4.018266446e+01 4.774271238e+01 2.24 2.199017518e+01 3.806797033e+01 4.531681760e+01 2.26 2.068868764e+01 3.605760085e+01 4.300881670e+01 2.28 1.945772724e+01 3.414627619e+01 4.081282597e+01 2.30 1.829336456e+01 3.232841556e+01 3.872309764e+01 2.32 1.719230983e+01 3.059944990e+01 3.673405548e+01 2.34 1.615119270e+01 2.895573563e+01 3.484139232e+01 2.36 1.516675119e+01 2.739308206e+01 3.304059200e+01 2.38 1.423559097e+01 2.590758506e+01 3.132713812e+01 2.40 1.335529461e+01 2.449559584e+01 2.969675661e+01 2.42 1.252310109e+01 2.315369139e+01 2.814539576e+01 2.44 1.173640258e+01 2.187864719e+01 2.666920937e+01 2.46 1.099273368e+01 2.066741244e+01 2.526387691e+01 2.48 1.028976241e+01 1.951708826e+01 2.392673256e+01 2.50 9.625282619e+00 1.842490888e+01 2.265450480e+01 2.52 8.997207459e+00 1.738790433e+01 2.144400836e+01 2.54 8.403563641e+00 1.640391312e+01 2.029222473e+01 2.56 7.842483180e+00 1.547050839e+01 1.919629457e+01 2.58 7.311637387e+00 1.458507041e+01 1.815351083e+01 2.60 6.810055008e+00 1.374537315e+01 1.716128352e+01 2.62 6.336155496e+00 1.294939131e+01 1.621662358e+01 2.64 5.888479901e+00 1.219507242e+01 1.531783100e+01 2.66 5.465598748e+00 1.148031683e+01 1.446280622e+01 2.68 5.066170874e+00 1.080289822e+01 1.364964164e+01 2.70 4.688936885e+00 1.016098467e+01 1.287635171e+01 2.72 4.332712927e+00 9.552914346e+00 1.214106610e+01 2.74 3.996384832e+00 8.976858812e+00 1.144201987e+01 2.76 3.678856433e+00 8.430778167e+00 1.077754394e+01 2.78 3.379077419e+00 7.913469082e+00 1.014605628e+01 2.80 3.096260442e+00 7.423324482e+00 9.546053496e+00 2.82 2.829510390e+00 6.958750180e+00 8.976103302e+00 2.84 2.577980834e+00 6.518451646e+00 8.434837664e+00 2.86 2.340870472e+00 6.101071038e+00 7.920946793e+00 2.88 2.117419987e+00 5.705327106e+00 7.433173938e+00 2.90 1.906820084e+00 5.330012467e+00 6.970132580e+00 2.92 1.708431253e+00 4.973990838e+00 6.530747155e+00 2.94 1.521687468e+00 4.636194210e+00 6.114061773e+00 2.96 1.345965096e+00 4.315619992e+00 5.718979481e+00 2.98 1.180673237e+00 4.011328094e+00 5.344444546e+00 3.00 1.025252054e+00 3.722437981e+00 4.989409354e+00 3.02 8.789634854e-01 3.448125691e+00 4.652907566e+00 3.04 7.414410073e-01 3.187620835e+00 4.334034695e+00 3.06 6.123605954e-01 2.940203584e+00 4.031884164e+00 3.08 4.912552409e-01 2.705201664e+00 3.745586943e+00 3.10 3.776858572e-01 2.481987368e+00 3.474020579e+00 3.12 2.712396621e-01 2.269974604e+00 3.216719612e+00 3.14 1.715286416e-01 2.068616001e+00 2.972958058e+00 3.16 7.818808972e-02 1.877400073e+00 2.741998693e+00 3.18 -9.124783313e-03 1.695829188e+00 2.523143280e+00 3.20 -9.073217998e-02 1.523456076e+00 2.315731644e+00 3.22 -1.669369864e-01 1.359890300e+00 2.119140658e+00 3.24 -2.380786634e-01 1.204686595e+00 1.932673806e+00 3.26 -3.044104222e-01 1.057485089e+00 1.755807968e+00 3.28 -3.661209295e-01 9.179908144e-01 1.588150969e+00 3.30 -4.234519708e-01 7.858680453e-01 1.429207010e+00 3.32 -4.766308464e-01 6.607994282e-01 1.278512474e+00 3.34 -5.258714365e-01 5.424841971e-01 1.135634214e+00 3.36 -5.713752064e-01 4.306365576e-01 1.000167816e+00 3.38 -6.133321472e-01 3.248960592e-01 8.717358401e-01 3.40 -6.519216542e-01 2.249226813e-01 7.499860660e-01 3.42 -6.873133385e-01 1.306955943e-01 6.345897536e-01 3.44 -7.196677757e-01 4.196495116e-02 5.252399366e-01 3.46 -7.492318736e-01 -4.157808127e-02 4.216497617e-01 3.48 -7.762104792e-01 -1.201051675e-01 3.235508867e-01 3.50 -8.005286775e-01 -1.938023226e-01 2.306919488e-01 3.52 -8.223274532e-01 -2.628845684e-01 1.428371117e-01 3.54 -8.417399998e-01 -3.275582972e-01 5.976469808e-02 3.56 -8.588923295e-01 -3.880218525e-01 -1.873408477e-02 3.58 -8.739038251e-01 -4.444660149e-01 -9.285632549e-02 3.60 -8.868877398e-01 -4.970785401e-01 -1.627884914e-01 3.62 -8.979516492e-01 -5.463141909e-01 -2.287074144e-01 3.64 -9.071978588e-01 -5.919953505e-01 -2.907811805e-01 3.66 -9.147237731e-01 -6.342978152e-01 -3.491699270e-01 3.68 -9.206561646e-01 -6.733894234e-01 -4.040944183e-01 3.70 -9.250457987e-01 -7.094303129e-01 -4.556253098e-01 3.72 -9.279735465e-01 -7.425732510e-01 -5.038953623e-01 3.74 -9.295217717e-01 -7.729639304e-01 -5.491725180e-01 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