# 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 = Cu2Mg # 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 2.144312673e+02 1.16 1.974187419e+02 1.18 1.818120670e+02 1.20 1.674849364e+02 1.22 1.543229391e+02 1.24 1.422236503e+02 1.26 1.310955130e+02 1.28 1.208556031e+02 1.30 1.114272524e+02 1.32 1.027395427e+02 1.34 9.472838292e+01 1.36 8.733692170e+01 1.38 8.051462654e+01 1.40 7.421610500e+01 1.42 6.839986723e+01 1.44 6.302835642e+01 1.46 5.806699430e+01 1.48 5.348339436e+01 1.50 4.924724114e+01 1.52 4.533047574e+01 1.54 4.170739855e+01 1.56 3.835448064e+01 1.58 3.525014603e+01 1.60 3.237483467e+01 1.62 2.971122950e+01 1.64 2.724423560e+01 1.66 2.496051726e+01 1.68 2.284778903e+01 1.70 2.089418484e+01 1.72 1.908792380e+01 1.74 1.741734914e+01 1.76 1.587125568e+01 1.78 1.443929290e+01 1.80 1.311222295e+01 1.82 1.188195049e+01 1.84 1.074136284e+01 1.86 9.684100841e+00 1.88 8.704347499e+00 1.90 7.796691283e+00 1.92 6.956063796e+00 1.94 6.177740726e+00 1.96 5.457371599e+00 1.98 4.791008264e+00 2.00 4.175096986e+00 2.02 3.606423651e+00 2.04 3.082031252e+00 2.06 2.599138146e+00 2.08 2.155079034e+00 2.10 1.747275280e+00 2.12 1.373231899e+00 2.14 1.030546127e+00 2.16 7.169168399e-01 2.18 4.301448207e-01 2.20 1.681274982e-01 2.22 -7.114668191e-02 2.24 -2.896035119e-01 2.26 -4.896696166e-01 2.28 -6.727730501e-01 2.30 -8.397508083e-01 2.32 -9.915095648e-01 2.34 -1.128980016e+00 2.36 -1.253071397e+00 2.38 -1.364629521e+00 2.40 -1.464420268e+00 2.42 -1.553185269e+00 2.44 -1.631603701e+00 2.46 -1.700280581e+00 2.48 -1.759771787e+00 2.50 -1.810601879e+00 2.52 -1.853273313e+00 2.54 -1.888269299e+00 2.56 -1.916054102e+00 2.58 -1.937074809e+00 2.60 -1.951767499e+00 2.62 -1.960568484e+00 2.64 -1.963930923e+00 2.66 -1.962338756e+00 2.68 -1.956319089e+00 2.70 -1.946442363e+00 2.72 -1.933308405e+00 2.74 -1.917517911e+00 2.76 -1.899634821e+00 2.78 -1.880149137e+00 2.80 -1.859451411e+00 2.82 -1.837822690e+00 2.84 -1.815443826e+00 2.86 -1.792429280e+00 2.88 -1.768836116e+00 2.90 -1.744662859e+00 2.92 -1.719904706e+00 2.94 -1.694566568e+00 2.96 -1.668669398e+00 2.98 -1.642251570e+00 3.00 -1.615366922e+00 3.02 -1.588080625e+00 3.04 -1.560450231e+00 3.06 -1.532513613e+00 3.08 -1.504313359e+00 3.10 -1.475895370e+00 3.12 -1.447305399e+00 3.14 -1.418588173e+00 3.16 -1.389784026e+00 3.18 -1.360929884e+00 3.20 -1.332058989e+00 3.22 -1.303201517e+00 3.24 -1.274385470e+00 3.26 -1.245637599e+00 3.28 -1.216984112e+00 3.30 -1.188450961e+00 3.32 -1.160063649e+00 3.34 -1.131846646e+00 3.36 -1.103822651e+00 3.38 -1.076011950e+00 3.40 -1.048431968e+00 3.42 -1.021097487e+00 3.44 -9.940203148e-01 3.46 -9.672097902e-01 3.48 -9.406728162e-01 3.50 -9.144138721e-01 3.52 -8.884349459e-01 3.54 -8.627354642e-01 3.56 -8.373123152e-01 3.58 -8.121600596e-01 3.60 -7.872714070e-01 3.62 -7.626380192e-01 3.64 -7.382516729e-01 3.66 -7.141057890e-01 3.68 -6.901972887e-01 3.70 -6.665286831e-01 3.72 -6.431102319e-01 3.74 -6.199619229e-01 3.76 -5.971149580e-01 3.78 -5.746123876e-01 3.80 -5.525085634e-01 3.82 -5.308671851e-01 3.84 -5.097579191e-01 3.86 -4.892518268e-01 3.88 -4.694161048e-01 3.90 -4.503088272e-01 3.92 -4.319744250e-01 3.94 -4.144405172e-01 3.96 -3.977164460e-01 3.98 -3.817935497e-01 4.00 -3.666469152e-01 4.02 -3.522381619e-01 4.04 -3.385187459e-01 4.06 -3.254333230e-01 4.08 -3.129228278e-01 4.10 -3.009267029e-01 4.12 -2.893864878e-01 4.14 -2.782449003e-01 4.16 -2.674486563e-01 4.18 -2.569487860e-01 4.20 -2.467012123e-01 4.22 -2.366672332e-01 4.24 -2.268139810e-01 4.26 -2.171149019e-01 4.28 -2.075502608e-01 4.30 -1.981076416e-01 4.32 -1.887823779e-01 4.34 -1.795778223e-01 4.36 -1.705053429e-01 4.38 -1.615839417e-01 4.40 -1.528394111e-01 4.42 -1.443029927e-01 4.44 -1.360095731e-01 4.46 -1.279955239e-01 4.48 -1.202963649e-01 4.50 -1.129444724e-01 4.52 -1.059670613e-01 4.54 -9.938463739e-02 4.56 -9.321004800e-02 4.58 -8.744817284e-02 4.60 -8.209621333e-02 4.62 -7.714447625e-02 4.64 -7.257748225e-02 4.66 -6.837524887e-02 4.68 -6.451465077e-02 4.70 -6.097067105e-02 4.72 -5.771632550e-02 4.74 -5.472607255e-02 4.76 -5.197605444e-02 4.78 -4.944314271e-02 4.80 -4.710524128e-02 4.82 -4.494277093e-02 4.84 -4.293702411e-02 4.86 -4.107146293e-02 4.88 -3.933133397e-02 4.90 -3.770356489e-02 4.92 -3.617663156e-02 4.94 -3.474041166e-02 4.96 -3.338603613e-02 4.98 -3.210574493e-02 5.00 -3.089275218e-02 5.02 -2.974112255e-02 5.04 -2.864565980e-02 5.06 -2.760180775e-02 5.08 -2.660556301e-02 5.10 -2.565339877e-02 5.12 -2.474219858e-02 5.14 -2.386919917e-02 5.16 -2.303194111e-02 5.18 -2.222822660e-02 5.20 -2.145608320e-02 5.22 -2.071373287e-02 5.24 -1.999956548e-02 5.26 -1.931211624e-02 5.28 -1.865004639e-02 5.30 -1.801212676e-02 5.32 -1.739722365e-02 5.34 -1.680428625e-02 5.36 -1.623230645e-02 5.38 -1.568036059e-02 5.40 -1.514760117e-02 5.42 -1.463322960e-02 5.44 -1.413649054e-02 5.46 -1.365666715e-02 5.48 -1.319307682e-02 5.50 -1.274506750e-02 5.52 -1.231201441e-02 5.54 -1.189331716e-02 5.56 -1.148839716e-02 5.58 -1.109669531e-02 5.60 -1.071766988e-02 5.62 -1.035079463e-02 5.64 -9.995557096e-03 5.66 -9.651457005e-03 5.68 -9.318004856e-03 5.70 -8.994720640e-03 5.72 -8.681132699e-03 5.74 -8.376776736e-03 5.76 -8.081194985e-03 5.78 -7.793935578e-03 5.80 -7.514552112e-03 5.82 -7.242603483e-03 5.84 -6.977654002e-03 5.86 -6.719273878e-03 5.88 -6.467040096e-03 5.90 -6.220537780e-03 5.92 -5.979362110e-03 5.94 -5.743120848e-03 5.96 -5.511437559e-03 5.98 -5.283955570e-03 6.00 -5.060342708e-03