# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Wu-H-H-Trinkle-D-R--Cu-Ag # implementation = 2009--Wu-H-H--Cu-Ag--LAMMPS--ipr1 # composition = Ag2Cu # 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 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 6.904672076e+01 0.94 6.461682083e+01 0.96 6.054179157e+01 0.98 5.673669169e+01 1.00 5.316290916e+01 1.02 4.978208209e+01 1.04 4.656876831e+01 1.06 4.357383233e+01 1.08 4.093389323e+01 1.10 3.863990369e+01 1.12 3.664891817e+01 1.14 3.491804673e+01 1.16 3.341075976e+01 1.18 3.209721068e+01 1.20 3.094983507e+01 1.22 2.994048745e+01 1.24 2.904682230e+01 1.26 2.825886014e+01 1.28 2.757251393e+01 1.30 2.698237399e+01 1.32 2.648047865e+01 1.34 2.606338901e+01 1.36 2.573000064e+01 1.38 2.547756576e+01 1.40 2.529591896e+01 1.42 2.500747592e+01 1.44 2.453928122e+01 1.46 2.392218449e+01 1.48 2.318269687e+01 1.50 2.234707128e+01 1.52 2.144114869e+01 1.54 2.048859376e+01 1.56 1.950969524e+01 1.58 1.852046737e+01 1.60 1.753305722e+01 1.62 1.655729378e+01 1.64 1.560020637e+01 1.66 1.466709336e+01 1.68 1.376063932e+01 1.70 1.288103700e+01 1.72 1.202667592e+01 1.74 1.119479298e+01 1.76 1.038407856e+01 1.78 9.594443583e+00 1.80 8.825617852e+00 1.82 8.077652706e+00 1.84 7.350314529e+00 1.86 6.643331838e+00 1.88 5.956395787e+00 1.90 5.289105069e+00 1.92 4.640823947e+00 1.94 4.010452530e+00 1.96 3.396934427e+00 1.98 2.799275857e+00 2.00 2.216715993e+00 2.02 1.660725160e+00 2.04 1.141327959e+00 2.06 6.603007937e-01 2.08 2.183075801e-01 2.10 -1.852572380e-01 2.12 -5.526486767e-01 2.14 -8.857685607e-01 2.16 -1.187673193e+00 2.18 -1.460470738e+00 2.20 -1.705946748e+00 2.22 -1.925543914e+00 2.24 -2.120724692e+00 2.26 -2.292781764e+00 2.28 -2.442968480e+00 2.30 -2.572740729e+00 2.32 -2.683477440e+00 2.34 -2.776649606e+00 2.36 -2.853544752e+00 2.38 -2.915576740e+00 2.40 -2.964052720e+00 2.42 -3.000388064e+00 2.44 -3.026087247e+00 2.46 -3.042544554e+00 2.48 -3.050705746e+00 2.50 -3.051369939e+00 2.52 -3.045221852e+00 2.54 -3.032980816e+00 2.56 -3.015433915e+00 2.58 -2.993311963e+00 2.60 -2.967405815e+00 2.62 -2.938440774e+00 2.64 -2.907109439e+00 2.66 -2.873849971e+00 2.68 -2.839067621e+00 2.70 -2.803151669e+00 2.72 -2.766425466e+00 2.74 -2.729189174e+00 2.76 -2.691688288e+00 2.78 -2.654166184e+00 2.80 -2.616823056e+00 2.82 -2.579755317e+00 2.84 -2.542980610e+00 2.86 -2.506479012e+00 2.88 -2.470198228e+00 2.90 -2.434061465e+00 2.92 -2.397983696e+00 2.94 -2.361867312e+00 2.96 -2.325616816e+00 2.98 -2.289161882e+00 3.00 -2.252507368e+00 3.02 -2.215714561e+00 3.04 -2.178877758e+00 3.06 -2.141970876e+00 3.08 -2.104986607e+00 3.10 -2.067917607e+00 3.12 -2.030758616e+00 3.14 -1.993509727e+00 3.16 -1.956184345e+00 3.18 -1.918821898e+00 3.20 -1.881473163e+00 3.22 -1.844177555e+00 3.24 -1.806963382e+00 3.26 -1.769888885e+00 3.28 -1.732999520e+00 3.30 -1.696316020e+00 3.32 -1.659948157e+00 3.34 -1.623911210e+00 3.36 -1.588313830e+00 3.38 -1.553259605e+00 3.40 -1.518816119e+00 3.42 -1.485091773e+00 3.44 -1.452131287e+00 3.46 -1.420008235e+00 3.48 -1.388725184e+00 3.50 -1.358256051e+00 3.52 -1.328615953e+00 3.54 -1.299673444e+00 3.56 -1.271440571e+00 3.58 -1.243842504e+00 3.60 -1.216785435e+00 3.62 -1.190303254e+00 3.64 -1.164330589e+00 3.66 -1.138806112e+00 3.68 -1.113783685e+00 3.70 -1.089222282e+00 3.72 -1.065090233e+00 3.74 -1.041399032e+00 3.76 -1.018147191e+00 3.78 -9.952923137e-01 3.80 -9.728349579e-01 3.82 -9.507648521e-01 3.84 -9.290690735e-01 3.86 -9.077213128e-01 3.88 -8.867139856e-01 3.90 -8.660431159e-01 3.92 -8.456830962e-01 3.94 -8.256150907e-01 3.96 -8.058235238e-01 3.98 -7.862936564e-01 4.00 -7.670152262e-01 4.02 -7.479864943e-01 4.04 -7.291930660e-01 4.06 -7.106355426e-01 4.08 -6.923154240e-01 4.10 -6.742327267e-01 4.12 -6.563947745e-01 4.14 -6.388104806e-01 4.16 -6.214792886e-01 4.18 -6.043991735e-01 4.20 -5.875636968e-01 4.22 -5.709700826e-01 4.24 -5.546130909e-01 4.26 -5.384883849e-01 4.28 -5.225973889e-01 4.30 -5.069461285e-01 4.32 -4.915335765e-01 4.34 -4.763566599e-01 4.36 -4.614110465e-01 4.38 -4.466915752e-01 4.40 -4.321922572e-01 4.42 -4.179149596e-01 4.44 -4.038525547e-01 4.46 -3.899992706e-01 4.48 -3.763489695e-01 4.50 -3.629010553e-01 4.52 -3.496553882e-01 4.54 -3.366309615e-01 4.56 -3.238422281e-01 4.58 -3.112520192e-01 4.60 -2.988316024e-01 4.62 -2.865554102e-01 4.64 -2.744059586e-01 4.66 -2.623618130e-01 4.68 -2.504061230e-01 4.70 -2.386369883e-01 4.72 -2.271545290e-01 4.74 -2.160415255e-01 4.76 -2.053628680e-01 4.78 -1.951671744e-01 4.80 -1.854857171e-01 4.82 -1.763339337e-01 4.84 -1.677027300e-01 4.86 -1.595257700e-01 4.88 -1.517386252e-01 4.90 -1.442910424e-01 4.92 -1.371439889e-01 4.94 -1.302689508e-01 4.96 -1.236445155e-01 4.98 -1.172608554e-01 5.00 -1.111207235e-01 5.02 -1.052283007e-01 5.04 -9.958111249e-02 5.06 -9.417603037e-02 5.08 -8.901083474e-02 5.10 -8.408404734e-02 5.12 -7.939476345e-02 5.14 -7.494187807e-02 5.16 -7.071364228e-02 5.18 -6.670816011e-02 5.20 -6.292839019e-02 5.22 -5.937668937e-02 5.24 -5.605465888e-02 5.26 -5.296320600e-02 5.28 -5.010269721e-02 5.30 -4.747310605e-02 5.32 -4.507412039e-02 5.34 -4.290513510e-02 5.36 -4.096308650e-02 5.38 -3.925501995e-02 5.40 -3.776851151e-02 5.42 -3.648025963e-02 5.44 -3.536808483e-02 5.46 -3.441097920e-02 5.48 -3.358922597e-02 5.50 -3.288456467e-02 5.52 -3.228036472e-02 5.54 -3.176175549e-02 5.56 -3.131567089e-02 5.58 -3.093080689e-02 5.60 -3.059746184e-02 5.62 -3.030726767e-02 5.64 -3.005284926e-02 5.66 -2.982746299e-02 5.68 -2.962507783e-02 5.70 -2.944350012e-02 5.72 -2.928244384e-02 5.74 -2.914140325e-02 5.76 -2.901960757e-02 5.78 -2.891604141e-02 5.80 -2.882948884e-02 5.82 -2.875858445e-02 5.84 -2.870186007e-02 5.86 -2.865778236e-02 5.88 -2.862477966e-02 5.90 -2.860125968e-02 5.92 -2.858562010e-02 5.94 -2.857625424e-02 5.96 -2.857155383e-02 5.98 -2.856991016e-02 6.00 -2.856971469e-02