# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-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 2024-11-27 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 9.438499107e+02 0.92 8.756332707e+02 0.94 8.121369609e+02 0.96 7.530448496e+02 0.98 6.980614013e+02 1.00 6.469103643e+02 1.02 5.993335455e+02 1.04 5.550896583e+02 1.06 5.139532416e+02 1.08 4.757136499e+02 1.10 4.401741027e+02 1.12 4.071507952e+02 1.14 3.764720659e+02 1.16 3.479776134e+02 1.18 3.215177654e+02 1.20 2.969527924e+02 1.22 2.741522639e+02 1.24 2.529944475e+02 1.26 2.333657436e+02 1.28 2.151601570e+02 1.30 1.982788025e+02 1.32 1.826294410e+02 1.34 1.681260448e+02 1.36 1.546883923e+02 1.38 1.422416867e+02 1.40 1.307161999e+02 1.42 1.200469392e+02 1.44 1.101733352e+02 1.46 1.010389497e+02 1.48 9.259120280e+01 1.50 8.478111646e+01 1.52 7.756307615e+01 1.54 7.089460669e+01 1.56 6.473616298e+01 1.58 5.905093456e+01 1.60 5.380466237e+01 1.62 4.896546775e+01 1.64 4.450369265e+01 1.66 4.039174983e+01 1.68 3.660398339e+01 1.70 3.311653811e+01 1.72 2.990723732e+01 1.74 2.695546914e+01 1.76 2.424207983e+01 1.78 2.174927431e+01 1.80 1.946052345e+01 1.82 1.736047716e+01 1.84 1.543488348e+01 1.86 1.367051305e+01 1.88 1.205508843e+01 1.90 1.057721835e+01 1.92 9.226336247e+00 1.94 7.992642900e+00 1.96 6.867053022e+00 1.98 5.841145346e+00 2.00 4.907116099e+00 2.02 4.057735704e+00 2.04 3.286308283e+00 2.06 2.586634005e+00 2.08 1.952973992e+00 2.10 1.380017542e+00 2.12 8.628516937e-01 2.14 3.969328142e-01 2.16 -2.193986394e-02 2.18 -3.976488335e-01 2.20 -7.337812597e-01 2.22 -1.033650323e+00 2.24 -1.300315049e+00 2.26 -1.536598816e+00 2.28 -1.745106530e+00 2.30 -1.928240603e+00 2.32 -2.088215840e+00 2.34 -2.227073243e+00 2.36 -2.346692862e+00 2.38 -2.448805745e+00 2.40 -2.535005013e+00 2.42 -2.606756181e+00 2.44 -2.665406724e+00 2.46 -2.712194953e+00 2.48 -2.748258279e+00 2.50 -2.774640859e+00 2.52 -2.792300702e+00 2.54 -2.802116258e+00 2.56 -2.804892529e+00 2.58 -2.801366733e+00 2.60 -2.792213560e+00 2.62 -2.778050032e+00 2.64 -2.759440017e+00 2.66 -2.736898402e+00 2.68 -2.710894957e+00 2.70 -2.681857920e+00 2.72 -2.650177301e+00 2.74 -2.616207950e+00 2.76 -2.580272388e+00 2.78 -2.542663427e+00 2.80 -2.503646589e+00 2.82 -2.463462347e+00 2.84 -2.422328181e+00 2.86 -2.380440495e+00 2.88 -2.337976371e+00 2.90 -2.295095192e+00 2.92 -2.251940143e+00 2.94 -2.208639590e+00 2.96 -2.165308348e+00 2.98 -2.122048858e+00 3.00 -2.078952265e+00 3.02 -2.036099404e+00 3.04 -1.993561723e+00 3.06 -1.951402116e+00 3.08 -1.909675696e+00 3.10 -1.868430504e+00 3.12 -1.827708160e+00 3.14 -1.787544462e+00 3.16 -1.747969928e+00 3.18 -1.709010304e+00 3.20 -1.670687018e+00 3.22 -1.633017608e+00 3.24 -1.596016099e+00 3.26 -1.559693359e+00 3.28 -1.524057423e+00 3.30 -1.489113780e+00 3.32 -1.454865646e+00 3.34 -1.421314206e+00 3.36 -1.388458836e+00 3.38 -1.356297305e+00 3.40 -1.324825962e+00 3.42 -1.294039895e+00 3.44 -1.263933092e+00 3.46 -1.234498570e+00 3.48 -1.205728504e+00 3.50 -1.177614337e+00 3.52 -1.150146882e+00 3.54 -1.123316412e+00 3.56 -1.097112744e+00 3.58 -1.071525310e+00 3.60 -1.046543226e+00 3.62 -1.022155350e+00 3.64 -9.983503327e-01 3.66 -9.751166686e-01 3.68 -9.524427353e-01 3.70 -9.303168310e-01 3.72 -9.087272080e-01 3.74 -8.876621013e-01 3.76 -8.671097541e-01 3.78 -8.470584405e-01 3.80 -8.274964849e-01 3.82 -8.084122789e-01 3.84 -7.897942966e-01 3.86 -7.716311072e-01 3.88 -7.539113860e-01 3.90 -7.366239242e-01 3.92 -7.197576372e-01 3.94 -7.033015714e-01 3.96 -6.872449111e-01 3.98 -6.715769829e-01 4.00 -6.562872614e-01 4.02 -6.413653729e-01 4.04 -6.268010994e-01 4.06 -6.125843823e-01 4.08 -5.987053257e-01 4.10 -5.851542001e-01 4.12 -5.719214456e-01 4.14 -5.589976755e-01 4.16 -5.463736802e-01 4.18 -5.340404312e-01 4.20 -5.219890854e-01 4.22 -5.102109894e-01 4.24 -4.986976850e-01 4.26 -4.873411359e-01 4.28 -4.740978413e-01 4.30 -4.528579867e-01 4.32 -4.173246759e-01 4.34 -3.980024886e-01 4.36 -3.882926090e-01 4.38 -3.787786468e-01 4.40 -3.694575532e-01 4.42 -3.603264096e-01 4.44 -3.513824149e-01 4.46 -3.426228717e-01 4.48 -3.340451744e-01 4.50 -3.256467958e-01 4.52 -3.174252758e-01 4.54 -3.093782095e-01 4.56 -3.015032365e-01 4.58 -2.937980311e-01 4.60 -2.862602928e-01 4.62 -2.788877378e-01 4.64 -2.716780920e-01 4.66 -2.646290837e-01 4.68 -2.577384386e-01 4.70 -2.510038747e-01 4.72 -2.444230987e-01 4.74 -2.379938030e-01 4.76 -2.317136637e-01 4.78 -2.255803392e-01 4.80 -2.195914699e-01 4.82 -2.137446783e-01 4.84 -2.080375697e-01 4.86 -2.024677339e-01 4.88 -1.970327466e-01 4.90 -1.917301720e-01 4.92 -1.861534333e-01 4.94 -1.752146843e-01 4.96 -1.456948175e-01 4.98 -8.004745781e-02 5.00 -6.783664161e-23 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00