# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--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 2024-04-11 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 1.945976714e+02 1.16 1.773559549e+02 1.18 1.616347106e+02 1.20 1.472882568e+02 1.22 1.341875693e+02 1.24 1.222187596e+02 1.26 1.112810829e+02 1.28 1.012838907e+02 1.30 9.214388345e+01 1.32 8.378395372e+01 1.34 7.613349446e+01 1.36 6.912890426e+01 1.38 6.271337624e+01 1.40 5.683616672e+01 1.42 5.145161853e+01 1.44 4.651812239e+01 1.46 4.199753722e+01 1.48 3.785522968e+01 1.50 3.406199088e+01 1.52 3.059144824e+01 1.54 2.741799235e+01 1.56 2.451788402e+01 1.58 2.186905624e+01 1.60 1.945103735e+01 1.62 1.724483451e+01 1.64 1.523277457e+01 1.66 1.339837517e+01 1.68 1.172631101e+01 1.70 1.020244433e+01 1.72 8.813811875e+00 1.74 7.548535986e+00 1.76 6.395753672e+00 1.78 5.345645489e+00 1.80 4.389512122e+00 1.82 3.519763928e+00 1.84 2.729757081e+00 1.86 2.013532796e+00 1.88 1.365555739e+00 1.90 7.805123291e-01 1.92 2.531972589e-01 1.94 -2.214976266e-01 1.96 -6.485050223e-01 1.98 -1.032464502e+00 2.00 -1.377622701e+00 2.02 -1.687779579e+00 2.04 -1.966280616e+00 2.06 -2.216044053e+00 2.08 -2.439610138e+00 2.10 -2.639200847e+00 2.12 -2.816781197e+00 2.14 -2.974113818e+00 2.16 -3.112799513e+00 2.18 -3.234434509e+00 2.20 -3.340288143e+00 2.22 -3.431379491e+00 2.24 -3.508680479e+00 2.26 -3.573122262e+00 2.28 -3.625604478e+00 2.30 -3.666998839e+00 2.32 -3.698005102e+00 2.34 -3.719140085e+00 2.36 -3.730968692e+00 2.38 -3.734086471e+00 2.40 -3.729114130e+00 2.42 -3.716690226e+00 2.44 -3.697466066e+00 2.46 -3.672102930e+00 2.48 -3.641267358e+00 2.50 -3.605608545e+00 2.52 -3.565615482e+00 2.54 -3.521688106e+00 2.56 -3.474230702e+00 2.58 -3.423646853e+00 2.60 -3.370334825e+00 2.62 -3.314679339e+00 2.64 -3.257038381e+00 2.66 -3.197729036e+00 2.68 -3.137018062e+00 2.70 -3.075120245e+00 2.72 -3.012203520e+00 2.74 -2.948397530e+00 2.76 -2.883802387e+00 2.78 -2.818495925e+00 2.80 -2.752539146e+00 2.82 -2.685980409e+00 2.84 -2.618859051e+00 2.86 -2.551209076e+00 2.88 -2.483063287e+00 2.90 -2.414458134e+00 2.92 -2.345439343e+00 2.94 -2.276068199e+00 2.96 -2.206427919e+00 2.98 -2.136628968e+00 3.00 -2.066811545e+00 3.02 -1.997143289e+00 3.04 -1.927811015e+00 3.06 -1.859007150e+00 3.08 -1.790913849e+00 3.10 -1.723689349e+00 3.12 -1.657460699e+00 3.14 -1.592324782e+00 3.16 -1.528356562e+00 3.18 -1.465621338e+00 3.20 -1.404187187e+00 3.22 -1.344134504e+00 3.24 -1.285560907e+00 3.26 -1.228581076e+00 3.28 -1.173322107e+00 3.30 -1.119915593e+00 3.32 -1.068487947e+00 3.34 -1.019150556e+00 3.36 -9.719911845e-01 3.38 -9.270676746e-01 3.40 -8.844045439e-01 3.42 -8.439925673e-01 3.44 -8.057910029e-01 3.46 -7.697318277e-01 3.48 -7.357252134e-01 3.50 -7.036654892e-01 3.52 -6.734369606e-01 3.54 -6.449191329e-01 3.56 -6.179910710e-01 3.58 -5.925347942e-01 3.60 -5.684377248e-01 3.62 -5.455942889e-01 3.64 -5.239068092e-01 3.66 -5.032858422e-01 3.68 -4.836501027e-01 3.70 -4.649261023e-01 3.72 -4.470476055e-01 3.74 -4.299549831e-01 3.76 -4.135945230e-01 3.78 -3.979177398e-01 3.80 -3.828807113e-01 3.82 -3.684434588e-01 3.84 -3.545693800e-01 3.86 -3.412247392e-01 3.88 -3.283782143e-01 3.90 -3.160005012e-01 3.92 -3.040639724e-01 3.94 -2.925423916e-01 3.96 -2.814106842e-01 3.98 -2.706447675e-01 4.00 -2.602214466e-01 4.02 -2.501183851e-01 4.04 -2.403141610e-01 4.06 -2.307884200e-01 4.08 -2.215221372e-01 4.10 -2.124979925e-01 4.12 -2.037008592e-01 4.14 -1.951183815e-01 4.16 -1.867416055e-01 4.18 -1.785655889e-01 4.20 -1.705898956e-01 4.22 -1.628188543e-01 4.24 -1.552614610e-01 4.26 -1.479308247e-01 4.28 -1.408431204e-01 4.30 -1.340160937e-01 4.32 -1.274672625e-01 4.34 -1.212120382e-01 4.36 -1.152618316e-01 4.38 -1.096229277e-01 4.40 -1.042963817e-01 4.42 -9.927727303e-02 4.44 -9.455517868e-02 4.46 -9.011508090e-02 4.48 -8.593849668e-02 4.50 -8.200465274e-02 4.52 -7.829156898e-02 4.54 -7.477696611e-02 4.56 -7.143896239e-02 4.58 -6.825656356e-02 4.60 -6.520997401e-02 4.62 -6.228077035e-02 4.64 -5.945198075e-02 4.66 -5.670811111e-02 4.68 -5.403515273e-02 4.70 -5.142059906e-02 4.72 -4.885349118e-02 4.74 -4.632450427e-02 4.76 -4.382607868e-02 4.78 -4.135259111e-02 4.80 -3.890055158e-02 4.82 -3.646880309e-02 4.84 -3.405868945e-02 4.86 -3.167415358e-02 4.88 -2.932172181e-02 4.90 -2.701033633e-02 4.92 -2.475100929e-02 4.94 -2.255629276e-02 4.96 -2.043958687e-02 4.98 -1.841433284e-02 5.00 -1.649316816e-02 5.02 -1.468713098e-02 5.04 -1.300499490e-02 5.06 -1.145280191e-02 5.08 -1.003336194e-02 5.10 -8.746617906e-03 5.12 -7.590282517e-03 5.14 -6.559578825e-03 5.16 -5.647747825e-03 5.18 -4.846598463e-03 5.20 -4.147038463e-03 5.22 -3.539547823e-03 5.24 -3.014572858e-03 5.26 -2.562832604e-03 5.28 -2.175539898e-03 5.30 -1.844546217e-03 5.32 -1.562422854e-03 5.34 -1.322492028e-03 5.36 -1.118820860e-03 5.38 -9.461895187e-04 5.40 -8.000428567e-04 5.42 -6.764327947e-04 5.44 -5.719568439e-04 5.46 -4.836965811e-04 5.48 -4.091586120e-04 5.50 -3.462195829e-04 5.52 -2.930760782e-04 5.54 -2.481997327e-04 5.56 -2.102975401e-04 5.58 -1.782771202e-04 5.60 -1.512165798e-04 5.62 -1.283385335e-04 5.64 -1.089878342e-04 5.66 -9.261256647e-05 5.68 -7.874788525e-05 5.70 -6.700231178e-05 5.72 -5.704614217e-05 5.74 -4.860166050e-05 5.76 -4.143488812e-05 5.78 -3.534863593e-05 5.80 -3.017665910e-05 5.82 -2.577874236e-05 5.84 -2.203656960e-05 5.86 -1.885025341e-05 5.88 -1.613541958e-05 5.90 -1.382075784e-05 5.92 -1.184596395e-05 5.94 -1.016001034e-05 5.96 -8.719692463e-06 5.98 -7.488406452e-06 6.00 -6.435120916e-06