# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # composition = CuNi2 # 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 2026-08-31 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 3.413981872e+02 0.92 3.171911780e+02 0.94 2.946038442e+02 0.96 2.735311210e+02 0.98 2.538746201e+02 1.00 2.355422125e+02 1.02 2.184476368e+02 1.04 2.025101320e+02 1.06 1.876540923e+02 1.08 1.738087442e+02 1.10 1.609078423e+02 1.12 1.488893845e+02 1.14 1.376953453e+02 1.16 1.272714246e+02 1.18 1.175668130e+02 1.20 1.085339708e+02 1.22 1.001284216e+02 1.24 9.230855805e+01 1.26 8.503546036e+01 1.28 7.827272533e+01 1.30 7.198630686e+01 1.32 6.614436589e+01 1.34 6.071713000e+01 1.36 5.567676181e+01 1.38 5.099723548e+01 1.40 4.665422112e+01 1.42 4.262497648e+01 1.44 3.888824534e+01 1.46 3.542416243e+01 1.48 3.221416432e+01 1.50 2.924090584e+01 1.52 2.648818197e+01 1.54 2.394085453e+01 1.56 2.158478352e+01 1.58 1.940676296e+01 1.60 1.739446057e+01 1.62 1.553636145e+01 1.64 1.382171533e+01 1.66 1.224048707e+01 1.68 1.078331043e+01 1.70 9.441444676e+00 1.72 8.206734035e+00 1.74 7.071569712e+00 1.76 6.028854304e+00 1.78 5.071968496e+00 1.80 4.194739929e+00 1.82 3.391413988e+00 1.84 2.656626506e+00 1.86 1.985378223e+00 1.88 1.373010828e+00 1.90 8.151845998e-01 1.92 3.078574498e-01 1.94 -1.527347007e-01 1.96 -5.700962387e-01 1.98 -9.474890423e-01 2.00 -1.287948544e+00 2.02 -1.594298735e+00 2.04 -1.869166242e+00 2.06 -2.114993465e+00 2.08 -2.334050867e+00 2.10 -2.528448494e+00 2.12 -2.700146716e+00 2.14 -2.851200482e+00 2.16 -2.985741055e+00 2.18 -3.100271514e+00 2.20 -3.198073474e+00 2.22 -3.281064841e+00 2.24 -3.350497366e+00 2.26 -3.407531218e+00 2.28 -3.453241255e+00 2.30 -3.488622881e+00 2.32 -3.514597523e+00 2.34 -3.532017742e+00 2.36 -3.541672008e+00 2.38 -3.544289163e+00 2.40 -3.540542580e+00 2.42 -3.531054053e+00 2.44 -3.516397428e+00 2.46 -3.497101981e+00 2.48 -3.473655585e+00 2.50 -3.446507655e+00 2.52 -3.416071894e+00 2.54 -3.382728864e+00 2.56 -3.346828370e+00 2.58 -3.308691694e+00 2.60 -3.268613666e+00 2.62 -3.226864604e+00 2.64 -3.183692113e+00 2.66 -3.139322767e+00 2.68 -3.093963668e+00 2.70 -3.047803908e+00 2.72 -3.001015912e+00 2.74 -2.953756709e+00 2.76 -2.906169093e+00 2.78 -2.858382720e+00 2.80 -2.810515112e+00 2.82 -2.762672604e+00 2.84 -2.714951212e+00 2.86 -2.667437444e+00 2.88 -2.620209053e+00 2.90 -2.573335731e+00 2.92 -2.526879758e+00 2.94 -2.480896599e+00 2.96 -2.435435456e+00 2.98 -2.390539785e+00 3.00 -2.346247764e+00 3.02 -2.302485652e+00 3.04 -2.257974285e+00 3.06 -2.212007844e+00 3.08 -2.170770153e+00 3.10 -2.130336227e+00 3.12 -2.090636232e+00 3.14 -2.051681747e+00 3.16 -2.013481781e+00 3.18 -1.976042994e+00 3.20 -1.939369904e+00 3.22 -1.903465074e+00 3.24 -1.868329278e+00 3.26 -1.833961659e+00 3.28 -1.800359866e+00 3.30 -1.767520183e+00 3.32 -1.735437639e+00 3.34 -1.704106111e+00 3.36 -1.673518418e+00 3.38 -1.643666398e+00 3.40 -1.614540982e+00 3.42 -1.586132260e+00 3.44 -1.558429531e+00 3.46 -1.531421355e+00 3.48 -1.505095598e+00 3.50 -1.479439462e+00 3.52 -1.454439523e+00 3.54 -1.430081753e+00 3.56 -1.406351546e+00 3.58 -1.383233738e+00 3.60 -1.360712626e+00 3.62 -1.338771981e+00 3.64 -1.317395068e+00 3.66 -1.296564661e+00 3.68 -1.276263059e+00 3.70 -1.256472110e+00 3.72 -1.237173230e+00 3.74 -1.218347433e+00 3.76 -1.199975369e+00 3.78 -1.182037359e+00 3.80 -1.164513450e+00 3.82 -1.147383470e+00 3.84 -1.130627104e+00 3.86 -1.114223969e+00 3.88 -1.098153710e+00 3.90 -1.082396103e+00 3.92 -1.066931172e+00 3.94 -1.051739314e+00 3.96 -1.036801428e+00 3.98 -1.022099059e+00 4.00 -1.007614539e+00 4.02 -9.933311216e-01 4.04 -9.792331220e-01 4.06 -9.653060387e-01 4.08 -9.515366645e-01 4.10 -9.379131779e-01 4.12 -9.244252113e-01 4.14 -9.110638941e-01 4.16 -8.978218672e-01 4.18 -8.846932681e-01 4.20 -8.716736863e-01 4.22 -8.587600910e-01 4.24 -8.459507326e-01 4.26 -8.332956265e-01 4.28 -8.214828901e-01 4.30 -8.071772275e-01 4.32 -7.684002532e-01 4.34 -7.419013308e-01 4.36 -7.294100778e-01 4.38 -7.171026414e-01 4.40 -7.049768952e-01 4.42 -6.930307336e-01 4.44 -6.812620712e-01 4.46 -6.696688430e-01 4.48 -6.582490036e-01 4.50 -6.470005273e-01 4.52 -6.359214070e-01 4.54 -6.250096542e-01 4.56 -6.142632982e-01 4.58 -6.036803855e-01 4.60 -5.932589796e-01 4.62 -5.829971606e-01 4.64 -5.728930241e-01 4.66 -5.629446817e-01 4.68 -5.531502599e-01 4.70 -5.435078999e-01 4.72 -5.340157575e-01 4.74 -5.246720024e-01 4.76 -5.154748184e-01 4.78 -5.064224025e-01 4.80 -4.975129652e-01 4.82 -4.887447300e-01 4.84 -4.801159334e-01 4.86 -4.716248245e-01 4.88 -4.632696648e-01 4.90 -4.550487286e-01 4.92 -4.461459246e-01 4.94 -4.261099159e-01 4.96 -3.655765764e-01 4.98 -2.142568114e-01 5.00 -1.766009124e-22 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