# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Al # implementation = 2025--Sharifi-H--Fe-Co-Al--LAMMPS--ipr1 # composition = Co2Fe # 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 2025-07-01 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 6.762155200e+02 0.92 6.212023408e+02 0.94 5.696578577e+02 0.96 5.216028741e+02 0.98 4.769733739e+02 1.00 4.338879552e+02 1.02 3.925458942e+02 1.04 3.535907759e+02 1.06 3.173881845e+02 1.08 2.841031395e+02 1.10 2.537596625e+02 1.12 2.262854540e+02 1.14 2.015451377e+02 1.16 1.793647473e+02 1.18 1.595495065e+02 1.20 1.418965272e+02 1.22 1.262036669e+02 1.24 1.122755058e+02 1.26 9.992719021e+01 1.28 8.898670469e+01 1.30 7.929601377e+01 1.32 7.071139748e+01 1.34 6.310323207e+01 1.36 5.635540308e+01 1.38 5.036448435e+01 1.40 4.503878779e+01 1.42 4.029735460e+01 1.44 3.606893729e+01 1.46 3.229101038e+01 1.48 2.890882968e+01 1.50 2.587455477e+01 1.52 2.314644323e+01 1.54 2.068811708e+01 1.56 1.846790219e+01 1.58 1.645823842e+01 1.60 1.463515518e+01 1.62 1.297780849e+01 1.64 1.146807372e+01 1.66 1.009018852e+01 1.68 8.830441390e+00 1.70 7.676900213e+00 1.72 6.619176221e+00 1.74 5.648219465e+00 1.76 4.756140072e+00 1.78 3.936018802e+00 1.80 3.181712987e+00 1.82 2.487749441e+00 1.84 1.849246932e+00 1.86 1.261848620e+00 1.88 7.216629736e-01 1.90 2.252121773e-01 1.92 -2.306131753e-01 1.94 -6.485939474e-01 1.96 -1.031218393e+00 1.98 -1.380743041e+00 2.00 -1.699278790e+00 2.02 -1.988815184e+00 2.04 -2.251227128e+00 2.06 -2.488281139e+00 2.08 -2.701641258e+00 2.10 -2.892874663e+00 2.12 -3.063456953e+00 2.14 -3.214777167e+00 2.16 -3.348142524e+00 2.18 -3.464782704e+00 2.20 -3.565852597e+00 2.22 -3.652437602e+00 2.24 -3.725558393e+00 2.26 -3.786174455e+00 2.28 -3.835187415e+00 2.30 -3.873444203e+00 2.32 -3.901740047e+00 2.34 -3.920821310e+00 2.36 -3.931388182e+00 2.38 -3.934097223e+00 2.40 -3.929563785e+00 2.42 -3.918364290e+00 2.44 -3.901038579e+00 2.46 -3.878104942e+00 2.48 -3.850113220e+00 2.50 -3.817573579e+00 2.52 -3.780674110e+00 2.54 -3.739969381e+00 2.56 -3.695829543e+00 2.58 -3.648596610e+00 2.60 -3.598586384e+00 2.62 -3.546090247e+00 2.64 -3.491376843e+00 2.66 -3.434693650e+00 2.68 -3.376268446e+00 2.70 -3.316310690e+00 2.72 -3.255012805e+00 2.74 -3.192551396e+00 2.76 -3.129088380e+00 2.78 -3.064772063e+00 2.80 -2.999738142e+00 2.82 -2.934110663e+00 2.84 -2.868002921e+00 2.86 -2.801518312e+00 2.88 -2.734751151e+00 2.90 -2.667787446e+00 2.92 -2.600705639e+00 2.94 -2.533577318e+00 2.96 -2.466467897e+00 2.98 -2.399437279e+00 3.00 -2.332540487e+00 3.02 -2.265828277e+00 3.04 -2.199347732e+00 3.06 -2.133142835e+00 3.08 -2.067255024e+00 3.10 -2.001723721e+00 3.12 -1.936586850e+00 3.14 -1.871881326e+00 3.16 -1.807643513e+00 3.18 -1.743909668e+00 3.20 -1.680716337e+00 3.22 -1.618100723e+00 3.24 -1.556101008e+00 3.26 -1.494756626e+00 3.28 -1.434108486e+00 3.30 -1.374199126e+00 3.32 -1.315072809e+00 3.34 -1.256775543e+00 3.36 -1.199355024e+00 3.38 -1.142860497e+00 3.40 -1.087342535e+00 3.42 -1.032852740e+00 3.44 -9.794433507e-01 3.46 -9.271667817e-01 3.48 -8.760750889e-01 3.50 -8.262193724e-01 3.52 -7.776491307e-01 3.54 -7.304115801e-01 3.56 -6.845509544e-01 3.58 -6.401078066e-01 3.60 -5.971183280e-01 3.62 -5.556137089e-01 3.64 -5.156195566e-01 3.66 -4.771553919e-01 3.68 -4.402342390e-01 3.70 -4.048623240e-01 3.72 -3.710388906e-01 3.74 -3.387561418e-01 3.76 -3.079993096e-01 3.78 -2.787468504e-01 3.80 -2.509707622e-01 3.82 -2.246370132e-01 3.84 -1.997060695e-01 3.86 -1.761335069e-01 3.88 -1.538706884e-01 3.90 -1.328654889e-01 3.92 -1.130630484e-01 3.94 -9.440653226e-02 3.96 -7.683788200e-02 3.98 -6.029853841e-02 4.00 -4.473012149e-02 4.02 -3.007505473e-02 4.04 -1.627712295e-02 4.06 -3.281956168e-03 4.08 8.962565555e-03 4.10 2.050598853e-02 4.12 3.139504280e-02 4.14 4.167347795e-02 4.16 5.138197269e-02 4.18 6.055811202e-02 4.20 6.923642447e-02 4.22 7.744847097e-02 4.24 8.522297626e-02 4.26 9.244592147e-02 4.28 9.627803308e-02 4.30 8.888906324e-02 4.32 6.853003706e-02 4.34 6.749564003e-02 4.36 7.419817065e-02 4.38 8.063303221e-02 4.40 8.680754524e-02 4.42 9.272884269e-02 4.44 9.840388348e-02 4.46 1.038394633e-01 4.48 1.090422233e-01 4.50 1.140186570e-01 4.52 1.187751154e-01 4.54 1.233178117e-01 4.56 1.276528244e-01 4.58 1.317861005e-01 4.60 1.357234573e-01 4.62 1.394705851e-01 4.64 1.430330485e-01 4.66 1.464162886e-01 4.68 1.496256241e-01 4.70 1.526662534e-01 4.72 1.555432558e-01 4.74 1.582615936e-01 4.76 1.608261132e-01 4.78 1.632415471e-01 4.80 1.655125155e-01 4.82 1.676435280e-01 4.84 1.696389855e-01 4.86 1.715031816e-01 4.88 1.732403047e-01 4.90 1.748544399e-01 4.92 1.757412873e-01 4.94 1.680797880e-01 4.96 1.328393833e-01 4.98 5.809340940e-02 5.00 -2.091167694e-22 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00