# 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 = Ag2Zr # 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 3.890649219e+02 1.16 3.600837133e+02 1.18 3.333951716e+02 1.20 3.087941626e+02 1.22 2.860960453e+02 1.24 2.651358913e+02 1.26 2.457671289e+02 1.28 2.278589551e+02 1.30 2.112929932e+02 1.32 1.959609351e+02 1.34 1.817633957e+02 1.36 1.686093914e+02 1.38 1.564158582e+02 1.40 1.451069579e+02 1.42 1.346132376e+02 1.44 1.248708111e+02 1.46 1.158209591e+02 1.48 1.074102031e+02 1.50 9.959033679e+01 1.52 9.231791830e+01 1.54 8.555332555e+01 1.56 7.925986649e+01 1.58 7.340337129e+01 1.60 6.795211558e+01 1.62 6.287676005e+01 1.64 5.815026487e+01 1.66 5.374825388e+01 1.68 4.964751795e+01 1.70 4.582670649e+01 1.72 4.226870453e+01 1.74 3.895530632e+01 1.76 3.586904252e+01 1.78 3.299381034e+01 1.80 3.031479825e+01 1.82 2.781842144e+01 1.84 2.549216748e+01 1.86 2.332448596e+01 1.88 2.130468361e+01 1.90 1.942288586e+01 1.92 1.766997927e+01 1.94 1.603755680e+01 1.96 1.451782307e+01 1.98 1.310354022e+01 2.00 1.178799218e+01 2.02 1.056492997e+01 2.04 9.428496524e+00 2.06 8.373141362e+00 2.08 7.393551178e+00 2.10 6.484608133e+00 2.12 5.641404487e+00 2.14 4.859277612e+00 2.16 4.133865860e+00 2.18 3.461136924e+00 2.20 2.837396279e+00 2.22 2.259252212e+00 2.24 1.723584008e+00 2.26 1.227520127e+00 2.28 7.684306651e-01 2.30 3.439258947e-01 2.32 -4.817177242e-02 2.34 -4.098353378e-01 2.36 -7.429270501e-01 2.38 -1.049198886e+00 2.40 -1.330160196e+00 2.42 -1.587277950e+00 2.44 -1.821987446e+00 2.46 -2.035704109e+00 2.48 -2.229825952e+00 2.50 -2.405731768e+00 2.52 -2.564678914e+00 2.54 -2.707708896e+00 2.56 -2.835829373e+00 2.58 -2.950017652e+00 2.60 -3.051206245e+00 2.62 -3.140276584e+00 2.64 -3.218071078e+00 2.66 -3.285377910e+00 2.68 -3.342943310e+00 2.70 -3.391467466e+00 2.72 -3.431604904e+00 2.74 -3.463966257e+00 2.76 -3.489120289e+00 2.78 -3.507591879e+00 2.80 -3.519875811e+00 2.82 -3.526415567e+00 2.84 -3.527620865e+00 2.86 -3.523867337e+00 2.88 -3.515502010e+00 2.90 -3.502849458e+00 2.92 -3.486217830e+00 2.94 -3.465904239e+00 2.96 -3.442247221e+00 2.98 -3.415725279e+00 3.00 -3.386468925e+00 3.02 -3.354590148e+00 3.04 -3.320232193e+00 3.06 -3.283562085e+00 3.08 -3.244761767e+00 3.10 -3.204018471e+00 3.12 -3.161512746e+00 3.14 -3.117423088e+00 3.16 -3.071911903e+00 3.18 -3.025136936e+00 3.20 -2.977240200e+00 3.22 -2.928354172e+00 3.24 -2.878609716e+00 3.26 -2.828143366e+00 3.28 -2.777102138e+00 3.30 -2.725644429e+00 3.32 -2.673936456e+00 3.34 -2.622144914e+00 3.36 -2.570427701e+00 3.38 -2.518925169e+00 3.40 -2.467752519e+00 3.42 -2.417003940e+00 3.44 -2.366743637e+00 3.46 -2.317016905e+00 3.48 -2.267852980e+00 3.50 -2.219269690e+00 3.52 -2.171277202e+00 3.54 -2.123880584e+00 3.56 -2.077081287e+00 3.58 -2.030877785e+00 3.60 -1.985265697e+00 3.62 -1.940237682e+00 3.64 -1.895783355e+00 3.66 -1.851889405e+00 3.68 -1.808540091e+00 3.70 -1.765718183e+00 3.72 -1.723406416e+00 3.74 -1.681589425e+00 3.76 -1.640256048e+00 3.78 -1.599401759e+00 3.80 -1.559030888e+00 3.82 -1.519158189e+00 3.84 -1.479809299e+00 3.86 -1.441019751e+00 3.88 -1.402832445e+00 3.90 -1.365293797e+00 3.92 -1.328449164e+00 3.94 -1.292338317e+00 3.96 -1.256991768e+00 3.98 -1.222428516e+00 4.00 -1.188655422e+00 4.02 -1.155668061e+00 4.04 -1.123452640e+00 4.06 -1.091988484e+00 4.08 -1.061250635e+00 4.10 -1.031206855e+00 4.12 -1.001842255e+00 4.14 -9.731252435e-01 4.16 -9.450338562e-01 4.18 -9.175499601e-01 4.20 -8.906598579e-01 4.22 -8.643546388e-01 4.24 -8.386302796e-01 4.26 -8.134874765e-01 4.28 -7.889311825e-01 4.30 -7.649698356e-01 4.32 -7.416142933e-01 4.34 -7.188765284e-01 4.36 -6.967681858e-01 4.38 -6.752991291e-01 4.40 -6.544761232e-01 4.42 -6.343017844e-01 4.44 -6.147738920e-01 4.46 -5.958851060e-01 4.48 -5.776230781e-01 4.50 -5.599708954e-01 4.52 -5.429077671e-01 4.54 -5.264098516e-01 4.56 -5.104511285e-01 4.58 -4.950042389e-01 4.60 -4.800412418e-01 4.62 -4.655342569e-01 4.64 -4.514559886e-01 4.66 -4.377801369e-01 4.68 -4.244817152e-01 4.70 -4.115372941e-01 4.72 -3.989251948e-01 4.74 -3.866256506e-01 4.76 -3.746209513e-01 4.78 -3.628955792e-01 4.80 -3.514321643e-01 4.82 -3.402290163e-01 4.84 -3.292729255e-01 4.86 -3.185583264e-01 4.88 -3.080822809e-01 4.90 -2.978444207e-01 4.92 -2.878467974e-01 4.94 -2.780936250e-01 4.96 -2.685909094e-01 4.98 -2.593459703e-01 5.00 -2.503668747e-01 5.02 -2.416618127e-01 5.04 -2.332384599e-01 5.06 -2.251033709e-01 5.08 -2.172614540e-01 5.10 -2.097155631e-01 5.12 -2.024662344e-01 5.14 -1.955115810e-01 5.16 -1.888473362e-01 5.18 -1.824670279e-01 5.20 -1.763621420e-01 5.22 -1.705225163e-01 5.24 -1.649371371e-01 5.26 -1.595940926e-01 5.28 -1.544809321e-01 5.30 -1.495850026e-01 5.32 -1.448937288e-01 5.34 -1.403948365e-01 5.36 -1.360765180e-01 5.38 -1.319275476e-01 5.40 -1.279373522e-01 5.42 -1.240960459e-01 5.44 -1.203944359e-01 5.46 -1.168240067e-01 5.48 -1.133768888e-01 5.50 -1.100458172e-01 5.52 -1.068240835e-01 5.54 -1.037054850e-01 5.56 -1.006842726e-01 5.58 -9.775510000e-02 5.60 -9.491297470e-02 5.62 -9.215321192e-02 5.64 -8.947139143e-02 5.66 -8.686331800e-02 5.68 -8.432498509e-02 5.70 -8.185254211e-02 5.72 -7.944226494e-02 5.74 -7.709052979e-02 5.76 -7.479379038e-02 5.78 -7.254855834e-02 5.80 -7.035138712e-02 5.82 -6.819885947e-02 5.84 -6.608757883e-02 5.86 -6.401416502e-02 5.88 -6.197525475e-02 5.90 -5.996750768e-02 5.92 -5.798761848e-02 5.94 -5.603233603e-02 5.96 -5.409849024e-02 5.98 -5.218302750e-02 6.00 -5.028305529e-02