# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ni2Pd # 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 7.281907599e+02 0.86 6.573233414e+02 0.88 5.936991456e+02 0.90 5.365278063e+02 0.92 4.851162969e+02 0.94 4.388576105e+02 0.96 3.972206079e+02 0.98 3.597260019e+02 1.00 3.259470702e+02 1.02 2.955032638e+02 1.04 2.680591234e+02 1.06 2.433138302e+02 1.08 2.209909625e+02 1.10 2.008484876e+02 1.12 1.826607456e+02 1.14 1.662284100e+02 1.16 1.513780917e+02 1.18 1.379487975e+02 1.20 1.257978846e+02 1.22 1.147929228e+02 1.24 1.048224125e+02 1.26 9.578057905e+01 1.28 8.757307181e+01 1.30 8.011682616e+01 1.32 7.333697927e+01 1.34 6.716545261e+01 1.36 6.154469105e+01 1.38 5.642042941e+01 1.40 5.174101339e+01 1.42 4.746454833e+01 1.44 4.355445192e+01 1.46 3.997567986e+01 1.48 3.669606305e+01 1.50 3.368789149e+01 1.52 3.092689433e+01 1.54 2.839050977e+01 1.56 2.605760061e+01 1.58 2.390988347e+01 1.60 2.193232143e+01 1.62 2.011024026e+01 1.64 1.843014255e+01 1.66 1.688006722e+01 1.68 1.539953171e+01 1.70 1.405282604e+01 1.72 1.276445427e+01 1.74 1.153734259e+01 1.76 1.037126502e+01 1.78 9.265016215e+00 1.80 8.218349755e+00 1.82 7.230588896e+00 1.84 6.300445947e+00 1.86 5.426335117e+00 1.88 4.604881036e+00 1.90 3.836419316e+00 1.92 3.119539610e+00 1.94 2.453236360e+00 1.96 1.833717644e+00 1.98 1.259023116e+00 2.00 7.271734601e-01 2.02 2.361872973e-01 2.04 -2.159046736e-01 2.06 -6.310479455e-01 2.08 -1.011186369e+00 2.10 -1.358511970e+00 2.12 -1.674808364e+00 2.14 -1.961168043e+00 2.16 -2.219306238e+00 2.18 -2.451257940e+00 2.20 -2.658621525e+00 2.22 -2.842935274e+00 2.24 -3.005676832e+00 2.26 -3.147966830e+00 2.28 -3.271318701e+00 2.30 -3.377187290e+00 2.32 -3.466873054e+00 2.34 -3.541468520e+00 2.36 -3.602096412e+00 2.38 -3.649822770e+00 2.40 -3.685670392e+00 2.42 -3.711067641e+00 2.44 -3.726407017e+00 2.46 -3.732532951e+00 2.48 -3.730231551e+00 2.50 -3.718857886e+00 2.52 -3.700913118e+00 2.54 -3.677091297e+00 2.56 -3.647694119e+00 2.58 -3.613290625e+00 2.60 -3.574412521e+00 2.62 -3.531554886e+00 2.64 -3.485177802e+00 2.66 -3.435708040e+00 2.68 -3.383540704e+00 2.70 -3.329040881e+00 2.72 -3.272545309e+00 2.74 -3.214363942e+00 2.76 -3.154783657e+00 2.78 -3.094453911e+00 2.80 -3.033449368e+00 2.82 -2.971722525e+00 2.84 -2.909532816e+00 2.86 -2.846082151e+00 2.88 -2.782302014e+00 2.90 -2.718575738e+00 2.92 -2.655031188e+00 2.94 -2.591842345e+00 2.96 -2.530079288e+00 2.98 -2.468785495e+00 3.00 -2.408028346e+00 3.02 -2.347885286e+00 3.04 -2.288424319e+00 3.06 -2.229705710e+00 3.08 -2.171780054e+00 3.10 -2.114681616e+00 3.12 -2.058515072e+00 3.14 -2.003283355e+00 3.16 -1.948725385e+00 3.18 -1.894810540e+00 3.20 -1.841812558e+00 3.22 -1.789877400e+00 3.24 -1.738971721e+00 3.26 -1.689511135e+00 3.28 -1.641204579e+00 3.30 -1.593892224e+00 3.32 -1.547579631e+00 3.34 -1.502263254e+00 3.36 -1.457933234e+00 3.38 -1.414588987e+00 3.40 -1.372216553e+00 3.42 -1.330754322e+00 3.44 -1.290148251e+00 3.46 -1.250389858e+00 3.48 -1.211521998e+00 3.50 -1.173594675e+00 3.52 -1.136625687e+00 3.54 -1.100595321e+00 3.56 -1.065454021e+00 3.58 -1.031180574e+00 3.60 -9.977694453e-01 3.62 -9.652183608e-01 3.64 -9.335286546e-01 3.66 -9.026641160e-01 3.68 -8.724450096e-01 3.70 -8.429123426e-01 3.72 -8.141263696e-01 3.74 -7.861651837e-01 3.76 -7.590865205e-01 3.78 -7.329306414e-01 3.80 -7.077232592e-01 3.82 -6.835343678e-01 3.84 -6.605013371e-01 3.86 -6.383776180e-01 3.88 -6.168916567e-01 3.90 -5.958389047e-01 3.92 -5.750698534e-01 3.94 -5.544794083e-01 3.96 -5.339979962e-01 3.98 -5.135841484e-01 4.00 -4.932183433e-01 4.02 -4.728979101e-01 4.04 -4.526328401e-01 4.06 -4.324362685e-01 4.08 -4.122671399e-01 4.10 -3.921471839e-01 4.12 -3.722332930e-01 4.14 -3.526637737e-01 4.16 -3.338229075e-01 4.18 -3.172155173e-01 4.20 -3.011100662e-01 4.22 -2.855391703e-01 4.24 -2.705192599e-01 4.26 -2.560610328e-01 4.28 -2.421689525e-01 4.30 -2.288423647e-01 4.32 -2.160764466e-01 4.34 -2.038630150e-01 4.36 -1.921912134e-01 4.38 -1.810480895e-01 4.40 -1.704190855e-01 4.42 -1.602884485e-01 4.44 -1.506395749e-01 4.46 -1.414552990e-01 4.48 -1.327181288e-01 4.50 -1.244104433e-01 4.52 -1.165146527e-01 4.54 -1.090133285e-01 4.56 -1.018893097e-01 4.58 -9.512578386e-02 4.60 -8.870635259e-02 4.62 -8.261508016e-02 4.64 -7.683652951e-02 4.66 -7.135578865e-02 4.68 -6.615848620e-02 4.70 -6.123080051e-02 4.72 -5.655946266e-02 4.74 -5.213175428e-02 4.76 -4.793550200e-02 4.78 -4.396325321e-02 4.80 -4.022588542e-02 4.82 -3.735313258e-02 4.84 -3.465721470e-02 4.86 -3.210246770e-02 4.88 -2.967992511e-02 4.90 -2.738298184e-02 4.92 -2.520533941e-02 4.94 -2.314099508e-02 4.96 -2.118423080e-02 4.98 -1.932960212e-02 5.00 -1.757192711e-02 5.02 -1.590627539e-02 5.04 -1.432795736e-02 5.06 -1.283251364e-02 5.08 -1.141570478e-02 5.10 -1.007350124e-02 5.12 -8.802073706e-03 5.14 -7.597783805e-03 5.16 -6.457175041e-03 5.18 -5.376964181e-03 5.20 -4.354032930e-03 5.22 -3.385419952e-03 5.24 -2.468313251e-03 5.26 -1.600042872e-03 5.28 -7.785783529e-04 5.30 -1.220272746e-15 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