# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Shim-J-H-Park-S-I-Cho-Y-W-Lee-B-J--Ni-W # implementation = 2003--Shim-J-H--Ni-W--LAMMPS--ipr1 # composition = Ni2W # 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 nan 0.82 nan 0.84 1.627574114e+03 0.86 1.510847919e+03 0.88 1.402132141e+03 0.90 1.300894325e+03 0.92 1.206636489e+03 0.94 1.118892943e+03 0.96 1.037228246e+03 0.98 9.612352851e+02 1.00 8.905334753e+02 1.02 8.247670721e+02 1.04 7.636035887e+02 1.06 7.067323118e+02 1.08 6.538629103e+02 1.10 6.047241306e+02 1.12 5.590625744e+02 1.14 5.166415519e+02 1.16 4.772400082e+02 1.18 4.406515163e+02 1.20 4.066833340e+02 1.22 3.751555199e+02 1.24 3.459001055e+02 1.26 3.187603193e+02 1.28 2.935898603e+02 1.30 2.702522173e+02 1.32 2.486200316e+02 1.34 2.285744999e+02 1.36 2.100048158e+02 1.38 1.928076460e+02 1.40 1.768866409e+02 1.42 1.621519759e+02 1.44 1.485199220e+02 1.46 1.359124445e+02 1.48 1.242568269e+02 1.50 1.134853191e+02 1.52 1.035348085e+02 1.54 9.434651255e+01 1.56 8.586569006e+01 1.58 7.804137256e+01 1.60 7.082611223e+01 1.62 6.417574648e+01 1.64 5.804917782e+01 1.66 5.240816805e+01 1.68 4.721714586e+01 1.70 4.244302713e+01 1.72 3.805504680e+01 1.74 3.402460201e+01 1.76 3.032510532e+01 1.78 2.693184777e+01 1.80 2.382187087e+01 1.82 2.097384712e+01 1.84 1.836796836e+01 1.86 1.598584163e+01 1.88 1.381039184e+01 1.90 1.182577101e+01 1.92 1.001727352e+01 1.94 8.371257051e+00 1.96 6.875068775e+00 1.98 5.516976565e+00 2.00 4.286104784e+00 2.02 3.172374417e+00 2.04 2.166447245e+00 2.06 1.259673796e+00 2.08 4.440448326e-01 2.10 -2.878538735e-01 2.12 -9.428836764e-01 2.14 -1.527392318e+00 2.16 -2.047250506e+00 2.18 -2.507885975e+00 2.20 -2.914315214e+00 2.22 -3.271173005e+00 2.24 -3.582739940e+00 2.26 -3.852967922e+00 2.28 -4.085504091e+00 2.30 -4.283712960e+00 2.32 -4.450696988e+00 2.34 -4.589315769e+00 2.36 -4.702203853e+00 2.38 -4.791787319e+00 2.40 -4.860299173e+00 2.42 -4.909793663e+00 2.44 -4.942159569e+00 2.46 -4.959132558e+00 2.48 -4.962306646e+00 2.50 -4.953144848e+00 2.52 -4.932989055e+00 2.54 -4.903069204e+00 2.56 -4.864511784e+00 2.58 -4.818347720e+00 2.60 -4.765519685e+00 2.62 -4.706888881e+00 2.64 -4.643241312e+00 2.66 -4.575293601e+00 2.68 -4.503698376e+00 2.70 -4.429049249e+00 2.72 -4.351885427e+00 2.74 -4.272695976e+00 2.76 -4.191923755e+00 2.78 -4.109969062e+00 2.80 -4.027192985e+00 2.82 -3.943920509e+00 2.84 -3.860443370e+00 2.86 -3.777022692e+00 2.88 -3.693891407e+00 2.90 -3.611256485e+00 2.92 -3.529300991e+00 2.94 -3.448185957e+00 2.96 -3.368052112e+00 2.98 -3.289021463e+00 3.00 -3.211198738e+00 3.02 -3.134672712e+00 3.04 -3.059517408e+00 3.06 -2.985793200e+00 3.08 -2.913547818e+00 3.10 -2.842817263e+00 3.12 -2.773626643e+00 3.14 -2.705990944e+00 3.16 -2.639915741e+00 3.18 -2.575397859e+00 3.20 -2.512426000e+00 3.22 -2.450981353e+00 3.24 -2.391038180e+00 3.26 -2.332564426e+00 3.28 -2.275522329e+00 3.30 -2.219869074e+00 3.32 -2.165557484e+00 3.34 -2.112536768e+00 3.36 -2.060753317e+00 3.38 -2.010151564e+00 3.40 -1.960674882e+00 3.42 -1.912266526e+00 3.44 -1.864870578e+00 3.46 -1.818432879e+00 3.48 -1.772901913e+00 3.50 -1.728229612e+00 3.52 -1.684372036e+00 3.54 -1.641289916e+00 3.56 -1.598949021e+00 3.58 -1.557320341e+00 3.60 -1.516380085e+00 3.62 -1.476109494e+00 3.64 -1.436494493e+00 3.66 -1.397525211e+00 3.68 -1.359195391e+00 3.70 -1.321501745e+00 3.72 -1.284443272e+00 3.74 -1.248020591e+00 3.76 -1.212235312e+00 3.78 -1.177089464e+00 3.80 -1.142585014e+00 3.82 -1.108689401e+00 3.84 -1.072148904e+00 3.86 -1.012101012e+00 3.88 -8.634618626e-01 3.90 -6.833086689e-01 3.92 -6.530574404e-01 3.94 -6.236383062e-01 3.96 -5.950320287e-01 3.98 -5.672195681e-01 4.00 -5.401821149e-01 4.02 -5.139011176e-01 4.04 -4.883583088e-01 4.06 -4.635357279e-01 4.08 -4.394157411e-01 4.10 -4.159810599e-01 4.12 -3.932147565e-01 4.14 -3.711002778e-01 4.16 -3.496214576e-01 4.18 -3.287625266e-01 4.20 -3.085081213e-01 4.22 -2.888432914e-01 4.24 -2.697535052e-01 4.26 -2.512246543e-01 4.28 -2.332430569e-01 4.30 -2.157954594e-01 4.32 -1.988690375e-01 4.34 -1.824513959e-01 4.36 -1.665305666e-01 4.38 -1.510950062e-01 4.40 -1.361335926e-01 4.42 -1.217620733e-01 4.44 -1.098975008e-01 4.46 -1.034312248e-01 4.48 -8.302053923e-02 4.50 -2.251510310e-23 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 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