# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Co2MnNi # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 2.844629333e+04 2.844629333e+04 1.12 2.287588537e+04 2.287588537e+04 1.14 1.846382007e+04 1.846382007e+04 1.16 1.495523900e+04 1.495523900e+04 1.18 1.215437460e+04 1.215437460e+04 1.20 9.910167693e+03 9.910167693e+03 1.22 8.105547847e+03 8.105547847e+03 1.24 6.649401771e+03 6.649401771e+03 1.26 5.470528737e+03 5.470528737e+03 1.28 4.513068697e+03 4.513068697e+03 1.30 3.733028284e+03 3.733028284e+03 1.32 3.095632658e+03 3.095632658e+03 1.34 2.573295632e+03 2.573295632e+03 1.36 2.144056863e+03 2.144056863e+03 1.38 1.790376229e+03 1.790376229e+03 1.40 1.498198886e+03 1.498198886e+03 1.42 1.256226653e+03 1.256226653e+03 1.44 1.055349331e+03 1.055349331e+03 1.46 8.881997452e+02 8.881997452e+02 1.48 7.488032911e+02 7.488032911e+02 1.50 6.323014758e+02 6.323014758e+02 1.52 5.347322758e+02 5.347322758e+02 1.54 4.528562410e+02 4.528562410e+02 1.56 3.840178517e+02 3.840178517e+02 1.58 3.260347484e+02 3.260347484e+02 1.60 2.771094514e+02 2.771094514e+02 1.62 2.357577903e+02 2.357577903e+02 1.64 2.007509990e+02 2.007509990e+02 1.66 1.710697885e+02 1.710697885e+02 1.68 1.458669031e+02 1.458669031e+02 1.70 1.244366359e+02 1.244366359e+02 1.72 1.061900915e+02 1.061900915e+02 1.74 9.063497439e+01 9.063497439e+01 1.76 7.735884244e+01 7.735884244e+01 1.78 6.601532064e+01 6.601532064e+01 1.80 5.631311645e+01 5.631311645e+01 1.82 4.800692719e+01 4.800692719e+01 1.84 4.088972915e+01 4.088972915e+01 1.86 3.478657610e+01 3.478657610e+01 1.88 2.954947360e+01 2.954947360e+01 1.90 2.505307504e+01 2.505307504e+01 1.92 2.119109902e+01 2.119109902e+01 1.94 1.787316388e+01 1.787316388e+01 1.96 1.502214724e+01 1.502214724e+01 1.98 1.257206635e+01 1.257206635e+01 2.00 1.046655704e+01 1.046655704e+01 2.02 8.657456126e+00 8.657456126e+00 2.04 7.103571552e+00 7.103571552e+00 2.06 5.769542723e+00 5.769542723e+00 2.08 4.625039401e+00 4.625039401e+00 2.10 3.644023734e+00 3.644023734e+00 2.12 2.804105240e+00 2.804105240e+00 2.14 2.086018753e+00 2.086018753e+00 2.16 1.473183191e+00 1.473183191e+00 2.18 9.513280087e-01 9.513280087e-01 2.20 5.081767213e-01 5.081767213e-01 2.22 1.331398018e-01 1.331398018e-01 2.24 -1.830459109e-01 -1.830459109e-01 2.26 -4.484194917e-01 -4.484194917e-01 2.28 -6.699305638e-01 -6.699305638e-01 2.30 -8.535890518e-01 -8.535890518e-01 2.32 -1.004587189e+00 -1.004587189e+00 2.34 -1.127404073e+00 -1.127404073e+00 2.36 -1.225947574e+00 -1.225947574e+00 2.38 -1.303676220e+00 -1.303676220e+00 2.40 -1.363600765e+00 -1.363600765e+00 2.42 -1.408334256e+00 -1.408334256e+00 2.44 -1.440140667e+00 -1.440140667e+00 2.46 -1.460976519e+00 -1.460976519e+00 2.48 -1.472526465e+00 -1.472526465e+00 2.50 -1.476233700e+00 -1.476233700e+00 2.52 -1.473325906e+00 -1.473325906e+00 2.54 -1.464837372e+00 -1.464837372e+00 2.56 -1.451627914e+00 -1.451627914e+00 2.58 -1.434429601e+00 -1.434429601e+00 2.60 -1.413905484e+00 -1.413905484e+00 2.62 -1.390609279e+00 -1.390609279e+00 2.64 -1.365005673e+00 -1.365005673e+00 2.66 -1.337540429e+00 -1.337540429e+00 2.68 -1.308618073e+00 -1.308618073e+00 2.70 -1.278586966e+00 -1.278586966e+00 2.72 -1.247732236e+00 -1.247732236e+00 2.74 -1.216285698e+00 -1.216285698e+00 2.76 -1.184445847e+00 -1.184445847e+00 2.78 -1.152382577e+00 -1.152382577e+00 2.80 -1.120240726e+00 -1.120240726e+00 2.82 -1.088143093e+00 -1.088143093e+00 2.84 -1.056192996e+00 -1.056192996e+00 2.86 -1.024476440e+00 -1.024476440e+00 2.88 -9.930683384e-01 -9.930683384e-01 2.90 -9.620438001e-01 -9.620438001e-01 2.92 -9.314707202e-01 -9.314707202e-01 2.94 -9.014088314e-01 -9.014088314e-01 2.96 -8.719107060e-01 -8.719107060e-01 2.98 -8.430225791e-01 -8.430225791e-01 3.00 -8.147850137e-01 -8.147850137e-01 3.02 -7.872334293e-01 -7.872334293e-01 3.04 -7.603985087e-01 -7.603985087e-01 3.06 -7.343064999e-01 -7.343064999e-01 3.08 -7.089794240e-01 -7.089794240e-01 3.10 -6.844352020e-01 -6.844352020e-01 3.12 -6.606877093e-01 -6.606877093e-01 3.14 -6.377467683e-01 -6.377467683e-01 3.16 -6.156180342e-01 -6.156180342e-01 3.18 -5.942995937e-01 -5.942995937e-01 3.20 -5.737803771e-01 -5.737803771e-01 3.22 -5.540455155e-01 -5.540455155e-01 3.24 -5.350765940e-01 -5.350765940e-01 3.26 -5.168513347e-01 -5.168513347e-01 3.28 -4.993432538e-01 -4.993432538e-01 3.30 -4.825212950e-01 -4.825212950e-01 3.32 -4.663522674e-01 -4.663522674e-01 3.34 -4.508097335e-01 -4.508097335e-01 3.36 -4.358666185e-01 -4.358666185e-01 3.38 -4.214922834e-01 -4.214922834e-01 3.40 -4.076522111e-01 -4.076522111e-01 3.42 -3.943076820e-01 -3.943076820e-01 3.44 -3.814154396e-01 -3.814154396e-01 3.46 -3.689294871e-01 -3.689294871e-01 3.48 -3.568249665e-01 -3.568249665e-01 3.50 -3.450929169e-01 -3.450929169e-01 3.52 -3.337252498e-01 -3.337252498e-01 3.54 -3.227144298e-01 -3.227144298e-01 3.56 -3.120534208e-01 -3.120534208e-01 3.58 -3.017356293e-01 -3.017356293e-01 3.60 -2.917548445e-01 -2.917548445e-01 3.62 -2.821051754e-01 -2.821051754e-01 3.64 -2.727809852e-01 -2.727809852e-01 3.66 -2.637768246e-01 -2.637768246e-01 3.68 -2.550873624e-01 -2.550873624e-01 3.70 -2.467073151e-01 -2.467073151e-01 3.72 -2.386313748e-01 -2.386313748e-01 3.74 -2.308541362e-01 -2.308541362e-01 3.76 -2.233700228e-01 -2.233700228e-01 3.78 -2.161732124e-01 -2.161732124e-01 3.80 -2.092575610e-01 -2.092575610e-01 3.82 -2.026165276e-01 -2.026165276e-01 3.84 -1.962430973e-01 -1.962430973e-01 3.86 -1.901297048e-01 -1.901297048e-01 3.88 -1.842681576e-01 -1.842681576e-01 3.90 -1.786495581e-01 -1.786495581e-01 3.92 -1.732642270e-01 -1.732642270e-01 3.94 -1.681016253e-01 -1.681016253e-01 3.96 -1.631502770e-01 -1.631502770e-01 3.98 -1.583976913e-01 -1.583976913e-01 4.00 -1.538302854e-01 -1.538302854e-01 4.02 -1.494333066e-01 -1.494333066e-01 4.04 -1.451907550e-01 -1.451907550e-01 4.06 -1.410870617e-01 -1.410870617e-01 4.08 -1.371147462e-01 -1.371147462e-01 4.10 -1.332692182e-01 -1.332692182e-01 4.12 -1.295460552e-01 -1.295460552e-01 4.14 -1.259409956e-01 -1.259409956e-01 4.16 -1.224499332e-01 -1.224499332e-01 4.18 -1.190689116e-01 -1.190689116e-01 4.20 -1.157941190e-01 -1.157941190e-01 4.22 -1.126218829e-01 -1.126218829e-01 4.24 -1.095486651e-01 -1.095486651e-01 4.26 -1.065710571e-01 -1.065710571e-01 4.28 -1.036857747e-01 -1.036857747e-01 4.30 -1.008896540e-01 -1.008896540e-01 4.32 -9.817964707e-02 -9.817964707e-02 4.34 -9.555281698e-02 -9.555281698e-02 4.36 -9.300633428e-02 -9.300633428e-02 4.38 -9.053747274e-02 -9.053747274e-02 4.40 -8.814360554e-02 -8.814360554e-02 4.42 -8.582220152e-02 -8.582220152e-02 4.44 -8.357082158e-02 -8.357082158e-02 4.46 -8.138711525e-02 -8.138711525e-02 4.48 -7.926853565e-02 -7.926853565e-02 4.50 -7.721154338e-02 -7.721154338e-02 4.52 -7.521254909e-02 -7.521254909e-02 4.54 -7.326820401e-02 -7.326820401e-02 4.56 -7.137539156e-02 -7.137539156e-02 4.58 -6.953121911e-02 -6.953121911e-02 4.60 -6.773300973e-02 -6.773300973e-02 4.62 -6.597829404e-02 -6.597829404e-02 4.64 -6.426480215e-02 -6.426480215e-02 4.66 -6.259045560e-02 -6.259045560e-02 4.68 -6.095335945e-02 -6.095335945e-02 4.70 -5.935179436e-02 -5.935179436e-02 4.72 -5.778420873e-02 -5.778420873e-02 4.74 -5.624921094e-02 -5.624921094e-02 4.76 -5.474556165e-02 -5.474556165e-02 4.78 -5.327216606e-02 -5.327216606e-02 4.80 -5.182806634e-02 -5.182806634e-02 4.82 -5.041243402e-02 -5.041243402e-02 4.84 -4.902456249e-02 -4.902456249e-02 4.86 -4.766385949e-02 -4.766385949e-02 4.88 -4.632983971e-02 -4.632983971e-02 4.90 -4.502211734e-02 -4.502211734e-02 4.92 -4.374039876e-02 -4.374039876e-02 4.94 -4.248447522e-02 -4.248447522e-02 4.96 -4.125421553e-02 -4.125421553e-02 4.98 -4.004955886e-02 -4.004955886e-02 5.00 -3.887050752e-02 -3.887050752e-02 5.02 -3.771711975e-02 -3.771711975e-02 5.04 -3.658950265e-02 -3.658950265e-02 5.06 -3.548780502e-02 -3.548780502e-02 5.08 -3.441221030e-02 -3.441221030e-02 5.10 -3.336292951e-02 -3.336292951e-02 5.12 -3.234019426e-02 -3.234019426e-02 5.14 -3.134424971e-02 -3.134424971e-02 5.16 -3.037531658e-02 -3.037531658e-02 5.18 -2.943291899e-02 -2.943291899e-02 5.20 -2.851595464e-02 -2.851595464e-02 5.22 -2.762340162e-02 -2.762340162e-02 5.24 -2.675433972e-02 -2.675433972e-02 5.26 -2.590794004e-02 -2.590794004e-02 5.28 -2.508345454e-02 -2.508345454e-02 5.30 -2.428020567e-02 -2.428020567e-02 5.32 -2.349757590e-02 -2.349757590e-02 5.34 -2.273499733e-02 -2.273499733e-02 5.36 -2.199194126e-02 -2.199194126e-02 5.38 -2.126790779e-02 -2.126790779e-02 5.40 -2.056241538e-02 -2.056241538e-02 5.42 -1.987499044e-02 -1.987499044e-02 5.44 -1.920515690e-02 -1.920515690e-02 5.46 -1.855242583e-02 -1.855242583e-02 5.48 -1.791628497e-02 -1.791628497e-02 5.50 -1.729618835e-02 -1.729618835e-02 5.52 -1.669154584e-02 -1.669154584e-02 5.54 -1.610171277e-02 -1.610171277e-02 5.56 -1.552597948e-02 -1.552597948e-02 5.58 -1.496356092e-02 -1.496356092e-02 5.60 -1.441358620e-02 -1.441358620e-02 5.62 -1.387508822e-02 -1.387508822e-02 5.64 -1.334699322e-02 -1.334699322e-02 5.66 -1.282811036e-02 -1.282811036e-02 5.68 -1.231712131e-02 -1.231712131e-02 5.70 -1.181256986e-02 -1.181256986e-02 5.72 -1.131285516e-02 -1.131285516e-02 5.74 -1.081691973e-02 -1.081691973e-02 5.76 -1.032514373e-02 -1.032514373e-02 5.78 -9.838123873e-03 -9.838123873e-03 5.80 -9.356479863e-03 -9.356479863e-03 5.82 -8.880850338e-03 -8.880850338e-03 5.84 -8.411888755e-03 -8.411888755e-03 5.86 -7.950259288e-03 -7.950259288e-03 5.88 -7.496632726e-03 -7.496632726e-03 5.90 -7.051682372e-03 -7.051682372e-03 5.92 -6.616079944e-03 -6.616079944e-03 5.94 -6.190491468e-03 -6.190491468e-03 5.96 -5.775573181e-03 -5.775573181e-03 5.98 -5.371967426e-03 -5.371967426e-03 6.00 -4.980298553e-03 -4.980298553e-03