# 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 = 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 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 2.277396839e+02 1.16 2.094826331e+02 1.18 1.927373173e+02 1.20 1.773651889e+02 1.22 1.632408238e+02 1.24 1.502515159e+02 1.26 1.382974219e+02 1.28 1.272905837e+02 1.30 1.171523591e+02 1.32 1.078109611e+02 1.34 9.920039644e+01 1.36 9.126031820e+01 1.38 8.393580919e+01 1.40 7.717691846e+01 1.42 7.093812417e+01 1.44 6.517772610e+01 1.46 5.986071651e+01 1.48 5.495320539e+01 1.50 5.042173007e+01 1.52 4.623601535e+01 1.54 4.236867940e+01 1.56 3.879473702e+01 1.58 3.549118631e+01 1.60 3.243689589e+01 1.62 2.961265950e+01 1.64 2.700115662e+01 1.66 2.458673296e+01 1.68 2.235511900e+01 1.70 2.029320572e+01 1.72 1.838886561e+01 1.74 1.663075401e+01 1.76 1.500810967e+01 1.78 1.351066122e+01 1.80 1.212870252e+01 1.82 1.085326361e+01 1.84 9.676228901e+00 1.86 8.590313135e+00 1.88 7.588918077e+00 1.90 6.665950819e+00 1.92 5.815676656e+00 1.94 5.032646561e+00 1.96 4.311704376e+00 1.98 3.648045614e+00 2.00 3.037280034e+00 2.02 2.475457477e+00 2.04 1.959043343e+00 2.06 1.484855552e+00 2.08 1.049986832e+00 2.10 6.517352115e-01 2.12 2.875564434e-01 2.14 -4.495907214e-02 2.16 -3.480900018e-01 2.18 -6.239767094e-01 2.20 -8.746117230e-01 2.22 -1.101836634e+00 2.24 -1.307351628e+00 2.26 -1.492738447e+00 2.28 -1.659490518e+00 2.30 -1.809038831e+00 2.32 -1.942762254e+00 2.34 -2.061977356e+00 2.36 -2.167913223e+00 2.38 -2.261685034e+00 2.40 -2.344458219e+00 2.42 -2.417183456e+00 2.44 -2.480327943e+00 2.46 -2.534341610e+00 2.48 -2.579890594e+00 2.50 -2.617457872e+00 2.52 -2.647184859e+00 2.54 -2.669309025e+00 2.56 -2.684154026e+00 2.58 -2.692134555e+00 2.60 -2.693708747e+00 2.62 -2.689359838e+00 2.64 -2.679600086e+00 2.66 -2.664960083e+00 2.68 -2.645960794e+00 2.70 -2.623104860e+00 2.72 -2.596869252e+00 2.74 -2.567697401e+00 2.76 -2.535990711e+00 2.78 -2.502100764e+00 2.80 -2.466324593e+00 2.82 -2.428904876e+00 2.84 -2.390035420e+00 2.86 -2.349870599e+00 2.88 -2.308536679e+00 2.90 -2.266143178e+00 2.92 -2.222793156e+00 2.94 -2.178592060e+00 2.96 -2.133655130e+00 2.98 -2.088113271e+00 3.00 -2.042117015e+00 3.02 -1.995837741e+00 3.04 -1.949465243e+00 3.06 -1.903201071e+00 3.08 -1.857247903e+00 3.10 -1.811796446e+00 3.12 -1.767012240e+00 3.14 -1.723025049e+00 3.16 -1.679922853e+00 3.18 -1.637751229e+00 3.20 -1.596517532e+00 3.22 -1.556198381e+00 3.24 -1.516748681e+00 3.26 -1.478110649e+00 3.28 -1.440221814e+00 3.30 -1.403021477e+00 3.32 -1.366455478e+00 3.34 -1.330479350e+00 3.36 -1.295060019e+00 3.38 -1.260176270e+00 3.40 -1.225818217e+00 3.42 -1.191986009e+00 3.44 -1.158688012e+00 3.46 -1.125938734e+00 3.48 -1.093756686e+00 3.50 -1.062162363e+00 3.52 -1.031176476e+00 3.54 -1.000818498e+00 3.56 -9.711055590e-01 3.58 -9.420516723e-01 3.60 -9.136672575e-01 3.62 -8.859589137e-01 3.64 -8.589293896e-01 3.66 -8.325777022e-01 3.68 -8.068993630e-01 3.70 -7.818866780e-01 3.72 -7.575290957e-01 3.74 -7.338135806e-01 3.76 -7.107249967e-01 3.78 -6.882464858e-01 3.80 -6.663598252e-01 3.82 -6.450457522e-01 3.84 -6.242842422e-01 3.86 -6.040547311e-01 3.88 -5.843362737e-01 3.90 -5.651076392e-01 3.92 -5.463473462e-01 3.94 -5.280336539e-01 3.96 -5.101445136e-01 3.98 -4.926575199e-01 4.00 -4.755498721e-01 4.02 -4.587983769e-01 4.04 -4.423795176e-01 4.06 -4.262696129e-01 4.08 -4.104450876e-01 4.10 -3.948828691e-01 4.12 -3.795609285e-01 4.14 -3.644589479e-01 4.16 -3.495591285e-01 4.18 -3.348470934e-01 4.20 -3.203128472e-01 4.22 -3.059517257e-01 4.24 -2.917652524e-01 4.26 -2.777618053e-01 4.28 -2.639569937e-01 4.30 -2.503736552e-01 4.32 -2.370414094e-01 4.34 -2.239957378e-01 4.36 -2.112766116e-01 4.38 -1.989267300e-01 4.40 -1.869894780e-01 4.42 -1.755067404e-01 4.44 -1.645167295e-01 4.46 -1.540519842e-01 4.48 -1.441376907e-01 4.50 -1.347904464e-01 4.52 -1.260175547e-01 4.54 -1.178168834e-01 4.56 -1.101772709e-01 4.58 -1.030794035e-01 4.60 -9.649705695e-02 4.62 -9.039857450e-02 4.64 -8.474843401e-02 4.66 -7.950826324e-02 4.68 -7.463916958e-02 4.70 -7.010332762e-02 4.72 -6.586395011e-02 4.74 -6.188622228e-02 4.76 -5.813799274e-02 4.78 -5.459025485e-02 4.80 -5.121745682e-02 4.82 -4.799768465e-02 4.84 -4.491272103e-02 4.86 -4.194803101e-02 4.88 -3.909265835e-02 4.90 -3.633904577e-02 4.92 -3.368277593e-02 4.94 -3.112223171e-02 4.96 -2.865817729e-02 4.98 -2.629326782e-02 5.00 -2.403150392e-02 5.02 -2.187765548e-02 5.04 -1.983668632e-02 5.06 -1.791321479e-02 5.08 -1.611104458e-02 5.10 -1.443279375e-02 5.12 -1.287964074e-02 5.14 -1.145119600e-02 5.16 -1.014549233e-02 5.18 -8.959079045e-03 5.20 -7.887117531e-03 5.22 -6.923647670e-03 5.24 -6.062145691e-03 5.26 -5.295486384e-03 5.28 -4.616196090e-03 5.30 -4.016690144e-03 5.32 -3.489471485e-03 5.34 -3.027287826e-03 5.36 -2.623248506e-03 5.38 -2.270904664e-03 5.40 -1.964297786e-03 5.42 -1.697982278e-03 5.44 -1.467027654e-03 5.46 -1.267005472e-03 5.48 -1.093965505e-03 5.50 -9.444048694e-04 5.52 -8.152330758e-04 5.54 -7.037353037e-04 5.56 -6.075355835e-04 5.58 -5.245610840e-04 5.60 -4.530083033e-04 5.62 -3.913116484e-04 5.64 -3.381146581e-04 5.66 -2.922439511e-04 5.68 -2.526858651e-04 5.70 -2.185656693e-04 5.72 -1.891291870e-04 5.74 -1.637266339e-04 5.76 -1.417984687e-04 5.78 -1.228630512e-04 5.80 -1.065059111e-04 5.82 -9.237044050e-05 5.84 -8.014983916e-05 5.86 -6.958015672e-05 5.88 -6.043429062e-05 5.90 -5.251681532e-05 5.92 -4.565953179e-05 5.94 -3.971763998e-05 5.96 -3.456644900e-05 5.98 -3.009855092e-05 6.00 -2.622139346e-05