# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = Co2W # 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 1.169253851e+03 0.92 1.069246925e+03 0.94 9.768732599e+02 0.96 8.917796583e+02 0.98 8.137465970e+02 1.00 7.424386811e+02 1.02 6.773808499e+02 1.04 6.154691142e+02 1.06 5.559588224e+02 1.08 4.996642345e+02 1.10 4.470708514e+02 1.12 3.984260204e+02 1.14 3.538036751e+02 1.16 3.131540704e+02 1.18 2.763417228e+02 1.20 2.431741914e+02 1.22 2.134237242e+02 1.24 1.868433509e+02 1.26 1.631786952e+02 1.28 1.421764811e+02 1.30 1.235905059e+02 1.32 1.071856846e+02 1.34 9.274063407e+01 1.36 8.004916896e+01 1.38 6.892098692e+01 1.40 5.918176876e+01 1.42 5.067286142e+01 1.44 4.325066998e+01 1.46 3.678586298e+01 1.48 3.116246013e+01 1.50 2.627685930e+01 1.52 2.203684733e+01 1.54 1.836061712e+01 1.56 1.517581524e+01 1.58 1.241863464e+01 1.60 1.003295811e+01 1.62 7.969559736e+00 1.64 6.185364603e+00 1.66 4.642764713e+00 1.68 3.308990842e+00 1.70 2.155535220e+00 1.72 1.157622069e+00 1.74 2.937230481e-01 1.76 -4.548828634e-01 1.78 -1.104543147e+00 1.80 -1.669644043e+00 1.82 -2.162881942e+00 1.84 -2.595456959e+00 1.86 -2.977210224e+00 1.88 -3.316709518e+00 1.90 -3.621292852e+00 1.92 -3.897085792e+00 1.94 -4.149011065e+00 1.96 -4.380810028e+00 1.98 -4.595093192e+00 2.00 -4.793430088e+00 2.02 -4.976485759e+00 2.04 -5.144200335e+00 2.06 -5.296000647e+00 2.08 -5.431027242e+00 2.10 -5.548360677e+00 2.12 -5.647264355e+00 2.14 -5.727377472e+00 2.16 -5.788802182e+00 2.18 -5.832129416e+00 2.20 -5.858410526e+00 2.22 -5.869088763e+00 2.24 -5.865900289e+00 2.26 -5.850758925e+00 2.28 -5.825640283e+00 2.30 -5.792477044e+00 2.32 -5.753073458e+00 2.34 -5.709043174e+00 2.36 -5.661771047e+00 2.38 -5.612396852e+00 2.40 -5.561817188e+00 2.42 -5.510701058e+00 2.44 -5.459514593e+00 2.46 -5.408562903e+00 2.48 -5.358842888e+00 2.50 -5.311262293e+00 2.52 -5.261288583e+00 2.54 -5.211575845e+00 2.56 -5.161993841e+00 2.58 -5.112392685e+00 2.60 -5.062616360e+00 2.62 -5.012513062e+00 2.64 -4.961949217e+00 2.66 -4.910815696e+00 2.68 -4.859020594e+00 2.70 -4.806490195e+00 2.72 -4.753169549e+00 2.74 -4.699022175e+00 2.76 -4.644029127e+00 2.78 -4.588187652e+00 2.80 -4.531509582e+00 2.82 -4.474019602e+00 2.84 -4.415753478e+00 2.86 -4.356756324e+00 2.88 -4.297080934e+00 2.90 -4.236786243e+00 2.92 -4.175935901e+00 2.94 -4.114596993e+00 2.96 -4.052838903e+00 2.98 -3.990732308e+00 3.00 -3.928348316e+00 3.02 -3.865757003e+00 3.04 -3.803019757e+00 3.06 -3.740202847e+00 3.08 -3.677406339e+00 3.10 -3.614672485e+00 3.12 -3.552062554e+00 3.14 -3.489635526e+00 3.16 -3.427447503e+00 3.18 -3.365551613e+00 3.20 -3.303997947e+00 3.22 -3.242833541e+00 3.24 -3.182102379e+00 3.26 -3.121845431e+00 3.28 -3.062100700e+00 3.30 -3.002903296e+00 3.32 -2.944285519e+00 3.34 -2.886276948e+00 3.36 -2.828904549e+00 3.38 -2.772192775e+00 3.40 -2.716163680e+00 3.42 -2.660837031e+00 3.44 -2.606230419e+00 3.46 -2.552359374e+00 3.48 -2.499237475e+00 3.50 -2.446876459e+00 3.52 -2.395286326e+00 3.54 -2.344475446e+00 3.56 -2.294450653e+00 3.58 -2.245217342e+00 3.60 -2.196779561e+00 3.62 -2.149140098e+00 3.64 -2.102300560e+00 3.66 -2.056261455e+00 3.68 -2.011022264e+00 3.70 -1.966581509e+00 3.72 -1.922936825e+00 3.74 -1.880085016e+00 3.76 -1.838022120e+00 3.78 -1.796743463e+00 3.80 -1.756243715e+00 3.82 -1.716516940e+00 3.84 -1.677556650e+00 3.86 -1.639355850e+00 3.88 -1.601907087e+00 3.90 -1.565202495e+00 3.92 -1.529233837e+00 3.94 -1.493992547e+00 3.96 -1.459469772e+00 3.98 -1.425656407e+00 4.00 -1.392543133e+00 4.02 -1.360120445e+00 4.04 -1.328378691e+00 4.06 -1.297308091e+00 4.08 -1.266898769e+00 4.10 -1.237140770e+00 4.12 -1.208024085e+00 4.14 -1.179538665e+00 4.16 -1.151674439e+00 4.18 -1.124421327e+00 4.20 -1.097769250e+00 4.22 -1.071708141e+00 4.24 -1.046227956e+00 4.26 -1.021184895e+00 4.28 -9.938000031e-01 4.30 -9.551611703e-01 4.32 -8.951635063e-01 4.34 -8.593319096e-01 4.36 -8.382856765e-01 4.38 -8.177017504e-01 4.40 -7.975720446e-01 4.42 -7.778885196e-01 4.44 -7.586431883e-01 4.46 -7.398281210e-01 4.48 -7.214354508e-01 4.50 -7.034573773e-01 4.52 -6.858861707e-01 4.54 -6.687141756e-01 4.56 -6.519338141e-01 4.58 -6.355375886e-01 4.60 -6.195180845e-01 4.62 -6.038679727e-01 4.64 -5.885800116e-01 4.66 -5.736470488e-01 4.68 -5.590620228e-01 4.70 -5.448179646e-01 4.72 -5.309079987e-01 4.74 -5.173253442e-01 4.76 -5.040633156e-01 4.78 -4.911153238e-01 4.80 -4.784748762e-01 4.82 -4.661355774e-01 4.84 -4.540911295e-01 4.86 -4.423353320e-01 4.88 -4.308620823e-01 4.90 -4.196653753e-01 4.92 -4.075099795e-01 4.94 -3.791180929e-01 4.96 -2.985091829e-01 4.98 -1.397394979e-01 5.00 -9.831360687e-24 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