# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-N--LAMMPS--ipr1 # composition = In2N # 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 2024-11-27 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 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 2.758943095e+03 1.16 2.406751659e+03 1.18 2.112860111e+03 1.20 1.859759628e+03 1.22 1.637673084e+03 1.24 1.441767171e+03 1.26 1.268889051e+03 1.28 1.116848088e+03 1.30 9.835359195e+02 1.32 8.664593084e+02 1.34 7.629958418e+02 1.36 6.706887998e+02 1.38 5.878872430e+02 1.40 5.147825849e+02 1.42 4.520968656e+02 1.44 3.987543180e+02 1.46 3.527192137e+02 1.48 3.125192949e+02 1.50 2.772594149e+02 1.52 2.462908719e+02 1.54 2.190948167e+02 1.56 1.952402705e+02 1.58 1.743374929e+02 1.60 1.560074451e+02 1.62 1.398883560e+02 1.64 1.256586341e+02 1.66 1.130475008e+02 1.68 1.018281883e+02 1.70 9.180684489e+01 1.72 8.281555609e+01 1.74 7.471316918e+01 1.76 6.739066811e+01 1.78 6.077227805e+01 1.80 5.480487748e+01 1.82 4.943955379e+01 1.84 4.461841575e+01 1.86 4.027124840e+01 1.88 3.630933000e+01 1.90 3.260078893e+01 1.92 2.895960342e+01 1.94 2.523972378e+01 1.96 2.152190932e+01 1.98 1.814016029e+01 2.00 1.540431329e+01 2.02 1.333724520e+01 2.04 1.173656317e+01 2.06 1.039238984e+01 2.08 9.188139325e+00 2.10 8.077009684e+00 2.12 7.040584998e+00 2.14 6.071089399e+00 2.16 5.167952310e+00 2.18 4.336247803e+00 2.20 3.583144033e+00 2.22 2.913029229e+00 2.24 2.324281255e+00 2.26 1.809329818e+00 2.28 1.357347432e+00 2.30 9.574700598e-01 2.32 6.008351467e-01 2.34 2.810529897e-01 2.36 -6.263476748e-03 2.38 -2.643408082e-01 2.40 -4.956311681e-01 2.42 -7.022526746e-01 2.44 -8.861020188e-01 2.46 -1.048902577e+00 2.48 -1.192238352e+00 2.50 -1.317565371e+00 2.52 -1.426224729e+00 2.54 -1.519454087e+00 2.56 -1.598398783e+00 2.58 -1.664122511e+00 2.60 -1.717617289e+00 2.62 -1.759812650e+00 2.64 -1.791583880e+00 2.66 -1.813757939e+00 2.68 -1.827125617e+00 2.70 -1.832436592e+00 2.72 -1.830411358e+00 2.74 -1.821742051e+00 2.76 -1.807094767e+00 2.78 -1.787111215e+00 2.80 -1.762409830e+00 2.82 -1.733586648e+00 2.84 -1.701216016e+00 2.86 -1.665851227e+00 2.88 -1.628024721e+00 2.90 -1.588247090e+00 2.92 -1.547003875e+00 2.94 -1.504749415e+00 2.96 -1.461897362e+00 2.98 -1.418812768e+00 3.00 -1.375800756e+00 3.02 -1.333107482e+00 3.04 -1.290926063e+00 3.06 -1.249411019e+00 3.08 -1.208696450e+00 3.10 -1.168911931e+00 3.12 -1.130190982e+00 3.14 -1.092670075e+00 3.16 -1.056479987e+00 3.18 -1.021733858e+00 3.20 -9.885167150e-01 3.22 -9.568795538e-01 3.24 -9.268387043e-01 3.26 -8.983776495e-01 3.28 -8.714601991e-01 3.30 -8.460243554e-01 3.32 -8.219970011e-01 3.34 -7.992956766e-01 3.36 -7.778319569e-01 3.38 -7.575140108e-01 3.40 -7.382485829e-01 3.42 -7.199419638e-01 3.44 -7.025039650e-01 3.46 -6.858445544e-01 3.48 -6.698780569e-01 3.50 -6.545228896e-01 3.52 -6.397021026e-01 3.54 -6.253437695e-01 3.56 -6.113812367e-01 3.58 -5.977532652e-01 3.60 -5.844040680e-01 3.62 -5.712832626e-01 3.64 -5.583457595e-01 3.66 -5.455516030e-01 3.68 -5.328657650e-01 3.70 -5.202579262e-01 3.72 -5.077022377e-01 3.74 -4.951770735e-01 3.76 -4.826647834e-01 3.78 -4.701514573e-01 3.80 -4.576266899e-01 3.82 -4.450833610e-01 3.84 -4.325174190e-01 3.86 -4.199276840e-01 3.88 -4.073156437e-01 3.90 -3.946852765e-01 3.92 -3.820428631e-01 3.94 -3.693968112e-01 3.96 -3.567574676e-01 3.98 -3.441369558e-01 4.00 -3.315489770e-01 4.02 -3.190086433e-01 4.04 -3.065322757e-01 4.06 -2.941372212e-01 4.08 -2.818416532e-01 4.10 -2.696643760e-01 4.12 -2.576246202e-01 4.14 -2.457418402e-01 4.16 -2.340355205e-01 4.18 -2.225249656e-01 4.20 -2.112283678e-01 4.22 -2.001658273e-01 4.24 -1.893539357e-01 4.26 -1.788094510e-01 4.28 -1.685480593e-01 4.30 -1.585842385e-01 4.32 -1.489311320e-01 4.34 -1.396004418e-01 4.36 -1.306023388e-01 4.38 -1.219453929e-01 4.40 -1.136365221e-01 4.42 -1.056809624e-01 4.44 -9.808225798e-02 4.46 -9.084226797e-02 4.48 -8.396119574e-02 4.50 -7.742772478e-02 4.52 -7.126054382e-02 4.54 -6.544315408e-02 4.56 -5.996979350e-02 4.58 -5.483340619e-02 4.60 -5.002575423e-02 4.62 -4.553753484e-02 4.64 -4.135850543e-02 4.66 -3.747760921e-02 4.68 -3.388310436e-02 4.70 -3.056269138e-02 4.72 -2.750363900e-02 4.74 -2.469290600e-02 4.76 -2.211725820e-02 4.78 -1.976337937e-02 4.80 -1.761797460e-02 4.82 -1.566786562e-02 4.84 -1.390007764e-02 4.86 -1.230191685e-02 4.88 -1.086103867e-02 4.90 -9.565506481e-03 4.92 -8.403840912e-03 4.94 -7.365060086e-03 4.96 -6.438710989e-03 4.98 -5.614892420e-03 5.00 -4.884270177e-03 5.02 -4.238084935e-03 5.04 -3.668153675e-03 5.06 -3.166865123e-03 5.08 -2.727169971e-03 5.10 -2.342566813e-03 5.12 -2.007084148e-03 5.14 -1.715259240e-03 5.16 -1.462114711e-03 5.18 -1.243133080e-03 5.20 -1.054230086e-03 5.22 -8.917271814e-04 5.24 -7.523236621e-04 5.26 -6.330688625e-04 5.28 -5.313347088e-04 5.30 -4.447889488e-04 5.32 -3.713693115e-04 5.34 -3.092587436e-04 5.36 -2.568619138e-04 5.38 -2.127830771e-04 5.40 -1.758053278e-04 5.42 -1.448713730e-04 5.44 -1.190657338e-04 5.46 -9.759843004e-05 5.48 -7.979007715e-05 5.50 -6.505837536e-05 5.52 -5.290590245e-05 5.54 -4.290915870e-05 5.56 -3.470877140e-05 5.58 -2.800079238e-05 5.60 -2.252899142e-05 5.62 -1.807807120e-05 5.64 -1.446771510e-05 5.66 -1.154739343e-05 5.68 -9.191847688e-06 5.70 -7.297183209e-06 5.72 -5.777500800e-06 5.74 -4.562006622e-06 5.76 -3.592541313e-06 5.78 -2.821476655e-06 5.80 -2.209931991e-06 5.82 -1.726267173e-06 5.84 -1.344815627e-06 5.86 -1.044821496e-06 5.88 -8.095526740e-07 5.90 -6.255626469e-07 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