# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1 # composition = FeNi2 # 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 2025-12-17 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 5.389479484e+02 1.04 4.824204401e+02 1.06 4.342598493e+02 1.08 3.931697303e+02 1.10 3.578536266e+02 1.12 3.277706470e+02 1.14 3.025771824e+02 1.16 2.813307596e+02 1.18 2.632287616e+02 1.20 2.476415893e+02 1.22 2.341654137e+02 1.24 2.225080962e+02 1.26 2.124446315e+02 1.28 2.037703576e+02 1.30 1.962587128e+02 1.32 1.896963239e+02 1.34 1.839276774e+02 1.36 1.788140856e+02 1.38 1.742297640e+02 1.40 1.695844482e+02 1.42 1.645835743e+02 1.44 1.594121719e+02 1.46 1.542011955e+02 1.48 1.490392822e+02 1.50 1.439448108e+02 1.52 1.388392655e+02 1.54 1.336454111e+02 1.56 1.283002906e+02 1.58 1.227569307e+02 1.60 1.169815482e+02 1.62 1.109545998e+02 1.64 1.046721926e+02 1.66 9.814703961e+01 1.68 9.140826149e+01 1.70 8.450029451e+01 1.72 7.748038617e+01 1.74 7.041565624e+01 1.76 6.338084747e+01 1.78 5.645503831e+01 1.80 4.971792461e+01 1.82 4.324593517e+01 1.84 3.710342836e+01 1.86 3.134873004e+01 1.88 2.603438918e+01 1.90 2.120061480e+01 1.92 1.687242377e+01 1.94 1.305909902e+01 1.96 9.754934341e+00 1.98 6.940818933e+00 2.00 4.586445102e+00 2.02 2.652975532e+00 2.04 1.095768430e+00 2.06 -1.337237965e-01 2.08 -1.084659171e+00 2.10 -1.804252017e+00 2.12 -2.351436031e+00 2.14 -2.770007340e+00 2.16 -3.080934811e+00 2.18 -3.303998262e+00 2.20 -3.457908994e+00 2.22 -3.560235478e+00 2.24 -3.627495519e+00 2.26 -3.675119071e+00 2.28 -3.712971658e+00 2.30 -3.744780061e+00 2.32 -3.773307356e+00 2.34 -3.799056630e+00 2.36 -3.821748198e+00 2.38 -3.839984134e+00 2.40 -3.851279184e+00 2.42 -3.853645112e+00 2.44 -3.847130861e+00 2.46 -3.832420439e+00 2.48 -3.810219138e+00 2.50 -3.781253452e+00 2.52 -3.746254245e+00 2.54 -3.706031275e+00 2.56 -3.661567147e+00 2.58 -3.613837836e+00 2.60 -3.563776056e+00 2.62 -3.512175777e+00 2.64 -3.459398293e+00 2.66 -3.405577909e+00 2.68 -3.350769247e+00 2.70 -3.295023111e+00 2.72 -3.238396101e+00 2.74 -3.180949651e+00 2.76 -3.122748755e+00 2.78 -3.063861038e+00 2.80 -3.004355828e+00 2.82 -2.944303263e+00 2.84 -2.883773434e+00 2.86 -2.822835615e+00 2.88 -2.761557609e+00 2.90 -2.700005217e+00 2.92 -2.638241865e+00 2.94 -2.576328380e+00 2.96 -2.514322943e+00 2.98 -2.452281208e+00 3.00 -2.390256580e+00 3.02 -2.328307271e+00 3.04 -2.266524663e+00 3.06 -2.205007682e+00 3.08 -2.143850571e+00 3.10 -2.083142392e+00 3.12 -2.022967226e+00 3.14 -1.963404905e+00 3.16 -1.904532084e+00 3.18 -1.846423411e+00 3.20 -1.789147138e+00 3.22 -1.732759187e+00 3.24 -1.677306233e+00 3.26 -1.622826701e+00 3.28 -1.569351478e+00 3.30 -1.516904664e+00 3.32 -1.465504334e+00 3.34 -1.415163301e+00 3.36 -1.365889857e+00 3.38 -1.317688477e+00 3.40 -1.270560499e+00 3.42 -1.224504747e+00 3.44 -1.179518104e+00 3.46 -1.135596044e+00 3.48 -1.092733091e+00 3.50 -1.050923245e+00 3.52 -1.010159563e+00 3.54 -9.704310219e-01 3.56 -9.317260210e-01 3.58 -8.940341699e-01 3.60 -8.573464806e-01 3.62 -8.216553867e-01 3.64 -7.869549334e-01 3.66 -7.532406529e-01 3.68 -7.205096977e-01 3.70 -6.887606953e-01 3.72 -6.579942494e-01 3.74 -6.282103673e-01 3.76 -5.994168372e-01 3.78 -5.716096034e-01 3.80 -5.447889806e-01 3.82 -5.190148885e-01 3.84 -4.942293355e-01 3.86 -4.703181874e-01 3.88 -4.474080142e-01 3.90 -4.257367217e-01 3.92 -4.052615940e-01 3.94 -3.855899726e-01 3.96 -3.665205562e-01 3.98 -3.480490055e-01 4.00 -3.302813558e-01 4.02 -3.133561865e-01 4.04 -2.973260631e-01 4.06 -2.822044683e-01 4.08 -2.679448458e-01 4.10 -2.544504025e-01 4.12 -2.417224910e-01 4.14 -2.297651090e-01 4.16 -2.185654462e-01 4.18 -2.080828828e-01 4.20 -1.982626111e-01 4.22 -1.890435831e-01 4.24 -1.803645351e-01 4.26 -1.721669402e-01 4.28 -1.643910370e-01 4.30 -1.569870503e-01 4.32 -1.499197895e-01 4.34 -1.431287725e-01 4.36 -1.365471827e-01 4.38 -1.301864050e-01 4.40 -1.240993069e-01 4.42 -1.182284299e-01 4.44 -1.123546755e-01 4.46 -1.063346155e-01 4.48 -1.004127115e-01 4.50 -9.489917675e-02 4.52 -9.019449575e-02 4.54 -8.596390329e-02 4.56 -8.181820742e-02 4.58 -7.728083344e-02 4.60 -7.196830879e-02 4.62 -6.603481108e-02 4.64 -5.965373970e-02 4.66 -5.297922154e-02 4.68 -4.629484960e-02 4.70 -3.994994768e-02 4.72 -3.414363524e-02 4.74 -2.893492184e-02 4.76 -2.419302087e-02 4.78 -1.995540679e-02 4.80 -1.624374471e-02 4.82 -1.304658747e-02 4.84 -1.033285662e-02 4.86 -8.060938196e-03 4.88 -6.184626502e-03 4.90 -4.656855925e-03 4.92 -3.431924045e-03 4.94 -2.466721364e-03 4.96 -1.721335769e-03 4.98 -1.159287170e-03 5.00 -7.475629095e-04 5.02 -4.565626106e-04 5.04 -2.600171382e-04 5.06 -1.349164170e-04 5.08 -6.146138258e-05 5.10 -2.304364265e-05 5.12 -6.250069580e-06 5.14 -8.867958695e-07 5.16 -1.656549750e-08 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