# 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 = Al2Au # 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 1.801997598e+02 1.16 1.670390461e+02 1.18 1.548934344e+02 1.20 1.436723390e+02 1.22 1.332925708e+02 1.24 1.236807331e+02 1.26 1.147706850e+02 1.28 1.065013064e+02 1.30 9.881698955e+01 1.32 9.166877584e+01 1.34 8.501409077e+01 1.36 7.881502152e+01 1.38 7.303647291e+01 1.40 6.764536860e+01 1.42 6.261095392e+01 1.44 5.790569454e+01 1.46 5.350609520e+01 1.48 4.939356385e+01 1.50 4.556674426e+01 1.52 4.201198544e+01 1.54 3.870938468e+01 1.56 3.564108597e+01 1.58 3.279239319e+01 1.60 3.014567829e+01 1.62 2.768496526e+01 1.64 2.539631857e+01 1.66 2.326774362e+01 1.68 2.128874750e+01 1.70 1.944969690e+01 1.72 1.774127542e+01 1.74 1.615425970e+01 1.76 1.467958767e+01 1.78 1.330856089e+01 1.80 1.203306023e+01 1.82 1.084571335e+01 1.84 9.739969565e+00 1.86 8.710061234e+00 1.88 7.750875270e+00 1.90 6.857789603e+00 1.92 6.026532472e+00 1.94 5.253104818e+00 1.96 4.533772533e+00 1.98 3.865093304e+00 2.00 3.243924679e+00 2.02 2.667386203e+00 2.04 2.132792214e+00 2.06 1.637588281e+00 2.08 1.179309143e+00 2.10 7.555573033e-01 2.12 3.639957670e-01 2.14 2.351960144e-03 2.16 -3.315665214e-01 2.18 -6.398440927e-01 2.20 -9.244216742e-01 2.22 -1.187063407e+00 2.24 -1.429336036e+00 2.26 -1.652605920e+00 2.28 -1.858051136e+00 2.30 -2.046681984e+00 2.32 -2.219364468e+00 2.34 -2.376844367e+00 2.36 -2.519772581e+00 2.38 -2.648732998e+00 2.40 -2.764273132e+00 2.42 -2.866935819e+00 2.44 -2.957288324e+00 2.46 -3.035944436e+00 2.48 -3.103575691e+00 2.50 -3.160936196e+00 2.52 -3.208874559e+00 2.54 -3.248285661e+00 2.56 -3.281651820e+00 2.58 -3.309497236e+00 2.60 -3.331850444e+00 2.62 -3.348899481e+00 2.64 -3.360945064e+00 2.66 -3.368341980e+00 2.68 -3.371435680e+00 2.70 -3.370519818e+00 2.72 -3.365830866e+00 2.74 -3.357560270e+00 2.76 -3.345833669e+00 2.78 -3.330724782e+00 2.80 -3.312273996e+00 2.82 -3.290503014e+00 2.84 -3.265425219e+00 2.86 -3.237052778e+00 2.88 -3.205402508e+00 2.90 -3.170502524e+00 2.92 -3.132401319e+00 2.94 -3.091180163e+00 2.96 -3.046968566e+00 2.98 -2.999961055e+00 3.00 -2.950431852e+00 3.02 -2.898742786e+00 3.04 -2.845339651e+00 3.06 -2.790734083e+00 3.08 -2.735471262e+00 3.10 -2.680088663e+00 3.12 -2.625073772e+00 3.14 -2.570829712e+00 3.16 -2.517654887e+00 3.18 -2.465738809e+00 3.20 -2.415171644e+00 3.22 -2.365962663e+00 3.24 -2.318062208e+00 3.26 -2.271382864e+00 3.28 -2.225817269e+00 3.30 -2.181251580e+00 3.32 -2.137574797e+00 3.34 -2.094684668e+00 3.36 -2.052491090e+00 3.38 -2.010917811e+00 3.40 -1.969903001e+00 3.42 -1.929399122e+00 3.44 -1.889372216e+00 3.46 -1.849800845e+00 3.48 -1.810674666e+00 3.50 -1.771992745e+00 3.52 -1.733761696e+00 3.54 -1.695993746e+00 3.56 -1.658704821e+00 3.58 -1.621912766e+00 3.60 -1.585635743e+00 3.62 -1.549890882e+00 3.64 -1.514693165e+00 3.66 -1.480054579e+00 3.68 -1.445983484e+00 3.70 -1.412484204e+00 3.72 -1.379556785e+00 3.74 -1.347196928e+00 3.76 -1.315396054e+00 3.78 -1.284141499e+00 3.80 -1.253416818e+00 3.82 -1.223202175e+00 3.84 -1.193474810e+00 3.86 -1.164209540e+00 3.88 -1.135379280e+00 3.90 -1.106955539e+00 3.92 -1.078908861e+00 3.94 -1.051209250e+00 3.96 -1.023826422e+00 3.98 -9.967301080e-01 4.00 -9.698902812e-01 4.02 -9.432774220e-01 4.04 -9.168628825e-01 4.06 -8.906194174e-01 4.08 -8.645219521e-01 4.10 -8.385486279e-01 4.12 -8.126822268e-01 4.14 -7.869117575e-01 4.16 -7.612344021e-01 4.18 -7.356574718e-01 4.20 -7.102002492e-01 4.22 -6.848954362e-01 4.24 -6.597899059e-01 4.26 -6.349444709e-01 4.28 -6.104324479e-01 4.30 -5.863369300e-01 4.32 -5.627468570e-01 4.34 -5.397521751e-01 4.36 -5.174385463e-01 4.38 -4.958821747e-01 4.40 -4.751453173e-01 4.42 -4.552729470e-01 4.44 -4.362908503e-01 4.46 -4.182052265e-01 4.48 -4.010036487e-01 4.50 -3.846570974e-01 4.52 -3.691227016e-01 4.54 -3.543468166e-01 4.56 -3.402681215e-01 4.58 -3.268205005e-01 4.60 -3.139355641e-01 4.62 -3.015447511e-01 4.64 -2.895810152e-01 4.66 -2.779801475e-01 4.68 -2.666818068e-01 4.70 -2.556303418e-01 4.72 -2.447754804e-01 4.74 -2.340729532e-01 4.76 -2.234850942e-01 4.78 -2.129814426e-01 4.80 -2.025393280e-01 4.82 -1.921445048e-01 4.84 -1.817915427e-01 4.86 -1.714842296e-01 4.88 -1.612356557e-01 4.90 -1.510679864e-01 4.92 -1.410118342e-01 4.94 -1.311051859e-01 4.96 -1.213918803e-01 4.98 -1.119196737e-01 5.00 -1.027380001e-01 5.02 -9.389558823e-02 5.04 -8.543809046e-02 5.06 -7.740592054e-02 5.08 -6.983246725e-02 5.10 -6.274259290e-02 5.12 -5.615203652e-02 5.14 -5.006801490e-02 5.16 -4.448888503e-02 5.18 -3.940495647e-02 5.20 -3.479963928e-02 5.22 -3.065076741e-02 5.24 -2.693197751e-02 5.26 -2.361404394e-02 5.28 -2.066609725e-02 5.30 -1.805667703e-02 5.32 -1.575460148e-02 5.34 -1.372964682e-02 5.36 -1.195304508e-02 5.38 -1.039758638e-02 5.40 -9.038358269e-03 5.42 -7.852690307e-03 5.44 -6.819937081e-03 5.46 -5.921466002e-03 5.48 -5.140586608e-03 5.50 -4.462441425e-03 5.52 -3.873873830e-03 5.54 -3.363284473e-03 5.56 -2.920484619e-03 5.58 -2.536552240e-03 5.60 -2.203694712e-03 5.62 -1.915120497e-03 5.64 -1.664921092e-03 5.66 -1.447963765e-03 5.68 -1.259795023e-03 5.70 -1.096554438e-03 5.72 -9.548982035e-04 5.74 -8.319316827e-04 5.76 -7.251501498e-04 5.78 -6.323869130e-04 5.80 -5.517680384e-04 5.82 -4.816729297e-04 5.84 -4.207000762e-04 5.86 -3.676373418e-04 5.88 -3.214362276e-04 5.90 -2.811896011e-04 5.92 -2.461124423e-04 5.94 -2.155252086e-04 5.96 -1.888394712e-04 5.98 -1.655455158e-04 6.00 -1.452016433e-04