# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1985--Foiles-S-M--Ni-Cu # implementation = 1985--Foiles-S-M--Ni-Cu--LAMMPS--ipr1 # composition = Cu2Ni # 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 2022-05-24 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 3.628460549e+02 0.82 3.372093825e+02 0.84 3.142885336e+02 0.86 2.935894194e+02 0.88 2.747256436e+02 0.90 2.573941701e+02 0.92 2.413465598e+02 0.94 2.263895957e+02 0.96 2.123696424e+02 0.98 1.991771075e+02 1.00 1.867193957e+02 1.02 1.749325645e+02 1.04 1.637647787e+02 1.06 1.531690054e+02 1.08 1.431200259e+02 1.10 1.335858516e+02 1.12 1.245447286e+02 1.14 1.159738355e+02 1.16 1.078615141e+02 1.18 1.001916841e+02 1.20 9.295070337e+01 1.22 8.612069957e+01 1.24 7.969213078e+01 1.26 7.364938230e+01 1.28 6.797677054e+01 1.30 6.265824571e+01 1.32 5.767645283e+01 1.34 5.301734538e+01 1.36 4.866764602e+01 1.38 4.461057176e+01 1.40 4.083291726e+01 1.42 3.731732240e+01 1.44 3.404910710e+01 1.46 3.101334525e+01 1.48 2.819757936e+01 1.50 2.559019467e+01 1.52 2.317842499e+01 1.54 2.094913459e+01 1.56 1.889127534e+01 1.58 1.699339086e+01 1.60 1.522190260e+01 1.62 1.360290996e+01 1.64 1.210810454e+01 1.66 1.072860142e+01 1.68 9.458021667e+00 1.70 8.266763090e+00 1.72 7.187828724e+00 1.74 6.201041535e+00 1.76 5.295309610e+00 1.78 4.464902354e+00 1.80 3.705300814e+00 1.82 3.011253610e+00 1.84 2.377844947e+00 1.86 1.800481626e+00 1.88 1.274878802e+00 1.90 7.971510946e-01 1.92 3.630974564e-01 1.94 -3.219968518e-02 1.96 -3.898333213e-01 1.98 -7.136573105e-01 2.00 -1.005921618e+00 2.02 -1.268739553e+00 2.04 -1.504505659e+00 2.06 -1.718027616e+00 2.08 -1.914472278e+00 2.10 -2.095047715e+00 2.12 -2.260131079e+00 2.14 -2.410512708e+00 2.16 -2.547171823e+00 2.18 -2.670582914e+00 2.20 -2.780799633e+00 2.22 -2.878116562e+00 2.24 -2.964265044e+00 2.26 -3.039826199e+00 2.28 -3.105364826e+00 2.30 -3.161167578e+00 2.32 -3.207134917e+00 2.34 -3.244743784e+00 2.36 -3.274481224e+00 2.38 -3.296826211e+00 2.40 -3.312241469e+00 2.42 -3.321136344e+00 2.44 -3.323262659e+00 2.46 -3.319812579e+00 2.48 -3.311287074e+00 2.50 -3.298274443e+00 2.52 -3.281355058e+00 2.54 -3.260561015e+00 2.56 -3.235926174e+00 2.58 -3.207776104e+00 2.60 -3.177314442e+00 2.62 -3.144155744e+00 2.64 -3.108245730e+00 2.66 -3.069849465e+00 2.68 -3.029217321e+00 2.70 -2.986585467e+00 2.72 -2.942176378e+00 2.74 -2.896249830e+00 2.76 -2.847695113e+00 2.78 -2.797283180e+00 2.80 -2.745964761e+00 2.82 -2.693880224e+00 2.84 -2.641173189e+00 2.86 -2.587977624e+00 2.88 -2.534418277e+00 2.90 -2.480611062e+00 2.92 -2.426663502e+00 2.94 -2.372705377e+00 2.96 -2.319647694e+00 2.98 -2.266685691e+00 3.00 -2.213896127e+00 3.02 -2.161361268e+00 3.04 -2.109638441e+00 3.06 -2.058792183e+00 3.08 -2.008205905e+00 3.10 -1.957973609e+00 3.12 -1.908260012e+00 3.14 -1.859103281e+00 3.16 -1.810534054e+00 3.18 -1.762589549e+00 3.20 -1.715300603e+00 3.22 -1.668691199e+00 3.24 -1.622802455e+00 3.26 -1.577640982e+00 3.28 -1.533184256e+00 3.30 -1.489364301e+00 3.32 -1.445972847e+00 3.34 -1.403092945e+00 3.36 -1.361018127e+00 3.38 -1.319826945e+00 3.40 -1.279473542e+00 3.42 -1.239940340e+00 3.44 -1.201234477e+00 3.46 -1.163359171e+00 3.48 -1.126307219e+00 3.50 -1.090073091e+00 3.52 -1.054658778e+00 3.54 -1.020054141e+00 3.56 -9.862448203e-01 3.58 -9.532310110e-01 3.60 -9.210144967e-01 3.62 -8.895679352e-01 3.64 -8.588742370e-01 3.66 -8.289378875e-01 3.68 -7.997645194e-01 3.70 -7.713483357e-01 3.72 -7.435620635e-01 3.74 -7.164127197e-01 3.76 -6.899725149e-01 3.78 -6.642952774e-01 3.80 -6.394185209e-01 3.82 -6.153161012e-01 3.84 -5.920374330e-01 3.86 -5.696841981e-01 3.88 -5.480684905e-01 3.90 -5.270287257e-01 3.92 -5.064505529e-01 3.94 -4.862565855e-01 3.96 -4.664018559e-01 3.98 -4.469121695e-01 4.00 -4.277230152e-01 4.02 -4.087614780e-01 4.04 -3.899806009e-01 4.06 -3.712815370e-01 4.08 -3.527068986e-01 4.10 -3.343591682e-01 4.12 -3.163193964e-01 4.14 -2.986508941e-01 4.16 -2.814023133e-01 4.18 -2.646102138e-01 4.20 -2.483011995e-01 4.22 -2.324789051e-01 4.24 -2.171398471e-01 4.26 -2.023263254e-01 4.28 -1.882379961e-01 4.30 -1.755963637e-01 4.32 -1.642452506e-01 4.34 -1.533741963e-01 4.36 -1.429821798e-01 4.38 -1.330641619e-01 4.40 -1.236119230e-01 4.42 -1.146147664e-01 4.44 -1.060601044e-01 4.46 -9.793394664e-02 4.48 -9.022130588e-02 4.50 -8.290653090e-02 4.52 -7.597358033e-02 4.54 -6.940624563e-02 4.56 -6.318833113e-02 4.58 -5.730379807e-02 4.60 -5.173687834e-02 4.62 -4.647216300e-02 4.64 -4.149466968e-02 4.66 -3.678989245e-02 4.68 -3.234383727e-02 4.70 -2.814304546e-02 4.72 -2.417460750e-02 4.74 -2.042616886e-02 4.76 -1.688592954e-02 4.78 -1.354334242e-02 4.80 -1.042863156e-02 4.82 -8.739004626e-03 4.84 -7.180204391e-03 4.86 -5.706051862e-03 4.88 -4.311628657e-03 4.90 -2.992722057e-03 4.92 -1.745321085e-03 4.94 -5.656702925e-04 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 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