# 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 = CuNi2 # 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 1.234203594e+02 1.16 1.126937766e+02 1.18 1.028955963e+02 1.20 9.394070967e+01 1.22 8.575074720e+01 1.24 7.825582840e+01 1.26 7.139433920e+01 1.28 6.511096529e+01 1.30 5.935384362e+01 1.32 5.407342998e+01 1.34 4.922448365e+01 1.36 4.476841727e+01 1.38 4.067311517e+01 1.40 3.691100314e+01 1.42 3.345733853e+01 1.44 3.028912223e+01 1.46 2.738431202e+01 1.48 2.472123457e+01 1.50 2.227885250e+01 1.52 2.003742164e+01 1.54 1.797909798e+01 1.56 1.608795589e+01 1.58 1.434952024e+01 1.60 1.275050929e+01 1.62 1.127909759e+01 1.64 9.925280671e+00 1.66 8.680811310e+00 1.68 7.538657190e+00 1.70 6.492293347e+00 1.72 5.535124712e+00 1.74 4.660200503e+00 1.76 3.860289810e+00 1.78 3.128266057e+00 1.80 2.457598671e+00 1.82 1.842703522e+00 1.84 1.279009438e+00 1.86 7.627652657e-01 1.88 2.907271472e-01 1.90 -1.401227687e-01 1.92 -5.327385784e-01 1.94 -8.900402663e-01 1.96 -1.214847045e+00 1.98 -1.509775748e+00 2.00 -1.777165560e+00 2.02 -2.019062620e+00 2.04 -2.237258073e+00 2.06 -2.433348346e+00 2.08 -2.608788085e+00 2.10 -2.764922926e+00 2.12 -2.903005151e+00 2.14 -3.024203741e+00 2.16 -3.129615918e+00 2.18 -3.220288170e+00 2.20 -3.297258388e+00 2.22 -3.361587712e+00 2.24 -3.414383734e+00 2.26 -3.456809032e+00 2.28 -3.490019665e+00 2.30 -3.514767644e+00 2.32 -3.531717765e+00 2.34 -3.541704502e+00 2.36 -3.545877936e+00 2.38 -3.544688771e+00 2.40 -3.538406247e+00 2.42 -3.527242475e+00 2.44 -3.511340740e+00 2.46 -3.490790080e+00 2.48 -3.465650874e+00 2.50 -3.435993297e+00 2.52 -3.401928440e+00 2.54 -3.363579959e+00 2.56 -3.321082979e+00 2.58 -3.274587365e+00 2.60 -3.224262585e+00 2.62 -3.170306915e+00 2.64 -3.112962005e+00 2.66 -3.052531482e+00 2.68 -2.989399528e+00 2.70 -2.924042706e+00 2.72 -2.857027264e+00 2.74 -2.788986148e+00 2.76 -2.720575757e+00 2.78 -2.652420153e+00 2.80 -2.585056489e+00 2.82 -2.518895878e+00 2.84 -2.454208335e+00 2.86 -2.391131739e+00 2.88 -2.329697681e+00 2.90 -2.269864273e+00 2.92 -2.211547443e+00 2.94 -2.154645739e+00 2.96 -2.099057152e+00 2.98 -2.044688755e+00 3.00 -1.991461019e+00 3.02 -1.939308725e+00 3.04 -1.888180050e+00 3.06 -1.838034886e+00 3.08 -1.788842966e+00 3.10 -1.740582073e+00 3.12 -1.693236349e+00 3.14 -1.646794701e+00 3.16 -1.601249253e+00 3.18 -1.556593886e+00 3.20 -1.512822929e+00 3.22 -1.469930118e+00 3.24 -1.427907904e+00 3.26 -1.386747155e+00 3.28 -1.346437233e+00 3.30 -1.306966363e+00 3.32 -1.268322156e+00 3.34 -1.230492142e+00 3.36 -1.193464178e+00 3.38 -1.157226639e+00 3.40 -1.121768347e+00 3.42 -1.087078256e+00 3.44 -1.053144959e+00 3.46 -1.019956116e+00 3.48 -9.874978837e-01 3.50 -9.557544507e-01 3.52 -9.247077308e-01 3.54 -8.943372452e-01 3.56 -8.646201996e-01 3.58 -8.355317432e-01 3.60 -8.070453955e-01 3.62 -7.791336315e-01 3.64 -7.517686389e-01 3.66 -7.249232711e-01 3.68 -6.985722335e-01 3.70 -6.726935295e-01 3.72 -6.472701591e-01 3.74 -6.222920058e-01 3.76 -5.977577611e-01 3.78 -5.736766433e-01 3.80 -5.500695788e-01 3.82 -5.269694766e-01 3.84 -5.044202563e-01 3.86 -4.824744291e-01 3.88 -4.611892644e-01 3.90 -4.406218662e-01 3.92 -4.208237547e-01 3.94 -4.018357125e-01 3.96 -3.836836412e-01 3.98 -3.663759869e-01 4.00 -3.499029770e-01 4.02 -3.342375710e-01 4.04 -3.193377612e-01 4.06 -3.051497114e-01 4.08 -2.916112200e-01 4.10 -2.786550841e-01 4.12 -2.662120876e-01 4.14 -2.542134844e-01 4.16 -2.425929706e-01 4.18 -2.312882195e-01 4.20 -2.202420929e-01 4.22 -2.094036523e-01 4.24 -1.987290738e-01 4.26 -1.881825389e-01 4.28 -1.777371281e-01 4.30 -1.673756998e-01 4.32 -1.570916837e-01 4.34 -1.468896794e-01 4.36 -1.367857169e-01 4.38 -1.268070274e-01 4.40 -1.169911899e-01 4.42 -1.073845680e-01 4.44 -9.804003358e-02 4.46 -8.901407156e-02 4.48 -8.036346767e-02 4.50 -7.214186301e-02 4.52 -6.439650661e-02 4.54 -5.716552194e-02 4.56 -5.047595012e-02 4.58 -4.434271647e-02 4.60 -3.876854324e-02 4.62 -3.374448794e-02 4.64 -2.925148062e-02 4.66 -2.526309380e-02 4.68 -2.174667799e-02 4.70 -1.866544559e-02 4.72 -1.598041030e-02 4.74 -1.365181045e-02 4.76 -1.164102618e-02 4.78 -9.911281242e-03 4.80 -8.428137367e-03 4.82 -7.159943331e-03 4.84 -6.078050437e-03 4.86 -5.156852545e-03 4.88 -4.373700643e-03 4.90 -3.708734470e-03 4.92 -3.144664498e-03 4.94 -2.666529403e-03 4.96 -2.261447084e-03 4.98 -1.918371544e-03 5.00 -1.627863516e-03 5.02 -1.381879338e-03 5.04 -1.173580259e-03 5.06 -9.971626358e-04 5.08 -8.477084668e-04 5.10 -7.210549933e-04 5.12 -6.136817706e-04 5.14 -5.226134388e-04 5.16 -4.453364087e-04 5.18 -3.797277476e-04 5.20 -3.239946678e-04 5.22 -2.766231671e-04 5.24 -2.363345267e-04 5.26 -2.020485217e-04 5.28 -1.728523487e-04 5.30 -1.479744066e-04 5.32 -1.267621887e-04 5.34 -1.086636506e-04 5.36 -9.321151215e-05 5.38 -8.001003378e-05 5.40 -6.872387793e-05 5.42 -5.906872565e-05 5.44 -5.080337072e-05 5.46 -4.372305704e-05 5.48 -3.765386182e-05 5.50 -3.244795880e-05 5.52 -2.797962184e-05 5.54 -2.414185169e-05 5.56 -2.084352720e-05 5.58 -1.800699833e-05 5.60 -1.556605116e-05 5.62 -1.346418656e-05 5.64 -1.165316326e-05 5.66 -1.009176388e-05 5.68 -8.744749313e-06 5.70 -7.581972044e-06 5.72 -6.577623785e-06 5.74 -5.709596711e-06 5.76 -4.958940763e-06 5.78 -4.309402291e-06 5.80 -3.747031581e-06 5.82 -3.259848778e-06 5.84 -2.837559326e-06 5.86 -2.471311422e-06 5.88 -2.153489169e-06 5.90 -1.877536036e-06 5.92 -1.637804109e-06 5.94 -1.429425271e-06 5.96 -1.248201055e-06 5.98 -1.090508408e-06 6.00 -9.532190120e-07