# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPd2 # 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 9.614113574e+02 0.86 8.663108824e+02 0.88 7.814765974e+02 0.90 7.057204696e+02 0.92 6.380054623e+02 0.94 5.774169248e+02 0.96 5.231581330e+02 0.98 4.745200345e+02 1.00 4.308770763e+02 1.02 3.916777647e+02 1.04 3.564355903e+02 1.06 3.247188671e+02 1.08 2.961405421e+02 1.10 2.703635333e+02 1.12 2.470839150e+02 1.14 2.260321824e+02 1.16 2.069751641e+02 1.18 1.897011270e+02 1.20 1.740211787e+02 1.22 1.597661887e+02 1.24 1.467917583e+02 1.26 1.349664271e+02 1.28 1.241731443e+02 1.30 1.143057398e+02 1.32 1.052731416e+02 1.34 9.699294876e+01 1.36 8.939345904e+01 1.38 8.240933538e+01 1.40 7.598198343e+01 1.42 7.005839414e+01 1.44 6.459375513e+01 1.46 5.954650853e+01 1.48 5.487908844e+01 1.50 5.055868698e+01 1.52 4.655597914e+01 1.54 4.284395423e+01 1.56 3.939760379e+01 1.58 3.619537636e+01 1.60 3.321908804e+01 1.62 3.045083823e+01 1.64 2.786599499e+01 1.66 2.547010925e+01 1.68 2.324424814e+01 1.70 2.117641098e+01 1.72 1.925474930e+01 1.74 1.743570975e+01 1.76 1.574571848e+01 1.78 1.415423327e+01 1.80 1.265863825e+01 1.82 1.125601573e+01 1.84 9.942920964e+00 1.86 8.715847870e+00 1.88 7.571084452e+00 1.90 6.504850291e+00 1.92 5.513767743e+00 1.94 4.594329211e+00 1.96 3.743660120e+00 1.98 2.958226234e+00 2.00 2.234013891e+00 2.02 1.567756736e+00 2.04 9.562691593e-01 2.06 3.961602268e-01 2.08 -1.158041654e-01 2.10 -5.821796177e-01 2.12 -1.005922072e+00 2.14 -1.389432154e+00 2.16 -1.735112477e+00 2.18 -2.044398768e+00 2.20 -2.320377020e+00 2.22 -2.565666475e+00 2.24 -2.782408795e+00 2.26 -2.972639717e+00 2.28 -3.138291162e+00 2.30 -3.281275908e+00 2.32 -3.403482502e+00 2.34 -3.506297979e+00 2.36 -3.591264185e+00 2.38 -3.659833043e+00 2.40 -3.713369431e+00 2.42 -3.752925900e+00 2.44 -3.779360009e+00 2.46 -3.794412008e+00 2.48 -3.799124539e+00 2.50 -3.794473688e+00 2.52 -3.782151827e+00 2.54 -3.762577995e+00 2.56 -3.736163864e+00 2.58 -3.703026905e+00 2.60 -3.664421722e+00 2.62 -3.621022754e+00 2.64 -3.573402739e+00 2.66 -3.522409668e+00 2.68 -3.468503000e+00 2.70 -3.411800410e+00 2.72 -3.352712957e+00 2.74 -3.291603138e+00 2.76 -3.228880297e+00 2.78 -3.163322473e+00 2.80 -3.096624962e+00 2.82 -3.029247121e+00 2.84 -2.961399323e+00 2.86 -2.893292822e+00 2.88 -2.825115453e+00 2.90 -2.757035921e+00 2.92 -2.689205286e+00 2.94 -2.621782265e+00 2.96 -2.555305955e+00 2.98 -2.489422476e+00 3.00 -2.424219047e+00 3.02 -2.359780163e+00 3.04 -2.296179612e+00 3.06 -2.233481529e+00 3.08 -2.171741404e+00 3.10 -2.111006332e+00 3.12 -2.051316124e+00 3.14 -1.992704385e+00 3.16 -1.935197829e+00 3.18 -1.878818590e+00 3.20 -1.823582965e+00 3.22 -1.769500918e+00 3.24 -1.716578391e+00 3.26 -1.665724639e+00 3.28 -1.616295658e+00 3.30 -1.567977669e+00 3.32 -1.520793024e+00 3.34 -1.474541556e+00 3.36 -1.429024024e+00 3.38 -1.384280100e+00 3.40 -1.340524750e+00 3.42 -1.297890146e+00 3.44 -1.256400185e+00 3.46 -1.216006251e+00 3.48 -1.176680574e+00 3.50 -1.138398783e+00 3.52 -1.101136956e+00 3.54 -1.064873286e+00 3.56 -1.029595612e+00 3.58 -9.952938687e-01 3.60 -9.619549181e-01 3.62 -9.295260911e-01 3.64 -8.979513009e-01 3.66 -8.672549107e-01 3.68 -8.374489552e-01 3.70 -8.085351024e-01 3.72 -7.805154183e-01 3.74 -7.533878417e-01 3.76 -7.271901996e-01 3.78 -7.018936196e-01 3.80 -6.773691682e-01 3.82 -6.535272215e-01 3.84 -6.303022087e-01 3.86 -6.076474875e-01 3.88 -5.855311304e-01 3.90 -5.638763989e-01 3.92 -5.426305909e-01 3.94 -5.218279311e-01 3.96 -5.014991085e-01 3.98 -4.816550933e-01 4.00 -4.622912400e-01 4.02 -4.434732488e-01 4.04 -4.252542078e-01 4.06 -4.076973205e-01 4.08 -3.908810019e-01 4.10 -3.747152577e-01 4.12 -3.591129032e-01 4.14 -3.440038496e-01 4.16 -3.293323598e-01 4.18 -3.150546677e-01 4.20 -3.011369245e-01 4.22 -2.875534304e-01 4.24 -2.742851195e-01 4.26 -2.613182678e-01 4.28 -2.486433916e-01 4.30 -2.362543197e-01 4.32 -2.241468438e-01 4.34 -2.122811205e-01 4.36 -2.006712384e-01 4.38 -1.893606844e-01 4.40 -1.783825164e-01 4.42 -1.677610188e-01 4.44 -1.575131265e-01 4.46 -1.476496491e-01 4.48 -1.381763172e-01 4.50 -1.290946797e-01 4.52 -1.204028690e-01 4.54 -1.120962527e-01 4.56 -1.041679886e-01 4.58 -9.661141199e-02 4.60 -8.981566086e-02 4.62 -8.373257531e-02 4.64 -7.793908657e-02 4.66 -7.242593432e-02 4.68 -6.718338628e-02 4.70 -6.220140497e-02 4.72 -5.746978590e-02 4.74 -5.297827102e-02 4.76 -4.871664183e-02 4.78 -4.467895362e-02 4.80 -4.087716156e-02 4.82 -3.793879003e-02 4.84 -3.518053872e-02 4.86 -3.256726297e-02 4.88 -3.009022684e-02 4.90 -2.774292684e-02 4.92 -2.551907330e-02 4.94 -2.341260048e-02 4.96 -2.141767287e-02 4.98 -1.952868837e-02 5.00 -1.774027880e-02 5.02 -1.604730845e-02 5.04 -1.444487089e-02 5.06 -1.292828444e-02 5.08 -1.149308670e-02 5.10 -1.013502820e-02 5.12 -8.850065586e-03 5.14 -7.634354382e-03 5.16 -6.484241461e-03 5.18 -5.396257430e-03 5.20 -4.367108940e-03 5.22 -3.393671022e-03 5.24 -2.472979529e-03 5.26 -1.602223720e-03 5.28 -7.792441124e-04 5.30 -1.219008133e-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