# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuFe2Pd # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.703729458e+02 2.703729458e+02 1.30 2.486552850e+02 2.486552850e+02 1.32 2.286448558e+02 2.286448558e+02 1.34 2.102042471e+02 2.102042471e+02 1.36 1.932080613e+02 1.932080613e+02 1.38 1.775400579e+02 1.775400579e+02 1.40 1.630919137e+02 1.630919137e+02 1.42 1.497630995e+02 1.497630995e+02 1.44 1.374613693e+02 1.374613693e+02 1.46 1.261031377e+02 1.261031377e+02 1.48 1.156130681e+02 1.156130681e+02 1.50 1.059229280e+02 1.059229280e+02 1.52 9.697021380e+01 9.697021380e+01 1.54 8.869692544e+01 8.869692544e+01 1.56 8.104868627e+01 8.104868627e+01 1.58 7.397433210e+01 7.397433210e+01 1.60 6.742598993e+01 6.742598993e+01 1.62 6.135951506e+01 6.135951506e+01 1.64 5.573503237e+01 5.573503237e+01 1.66 5.051735538e+01 5.051735538e+01 1.68 4.568697342e+01 4.568697342e+01 1.70 4.124093176e+01 4.124093176e+01 1.72 3.715956157e+01 3.715956157e+01 1.74 3.341763055e+01 3.341763055e+01 1.76 2.999110596e+01 2.999110596e+01 1.78 2.685664117e+01 2.685664117e+01 1.80 2.399151758e+01 2.399151758e+01 1.82 2.137389035e+01 2.137389035e+01 1.84 1.898311891e+01 1.898311891e+01 1.86 1.680000125e+01 1.680000125e+01 1.88 1.480683937e+01 1.480683937e+01 1.90 1.298737352e+01 1.298737352e+01 1.92 1.132666544e+01 1.132666544e+01 1.94 9.810981883e+00 9.810981883e+00 1.96 8.427687552e+00 8.427687552e+00 1.98 7.165151400e+00 7.165151400e+00 2.00 6.012683427e+00 6.012683427e+00 2.02 4.960513233e+00 4.960513233e+00 2.04 3.999794727e+00 3.999794727e+00 2.06 3.122603027e+00 3.122603027e+00 2.08 2.321896371e+00 2.321896371e+00 2.10 1.591437550e+00 1.591437550e+00 2.12 9.256875520e-01 9.256875520e-01 2.14 3.196904858e-01 3.196904858e-01 2.16 -2.310337177e-01 -2.310337177e-01 2.18 -7.305784146e-01 -7.305784146e-01 2.20 -1.182716887e+00 -1.182716887e+00 2.22 -1.590947365e+00 -1.590947365e+00 2.24 -1.958520951e+00 -1.958520951e+00 2.26 -2.288458658e+00 -2.288458658e+00 2.28 -2.583563560e+00 -2.583563560e+00 2.30 -2.846432469e+00 -2.846432469e+00 2.32 -3.079469734e+00 -3.079469734e+00 2.34 -3.284904009e+00 -3.284904009e+00 2.36 -3.464807680e+00 -3.464807680e+00 2.38 -3.621117765e+00 -3.621117765e+00 2.40 -3.755656747e+00 -3.755656747e+00 2.42 -3.870151780e+00 -3.870151780e+00 2.44 -3.966250774e+00 -3.966250774e+00 2.46 -4.045533658e+00 -4.045533658e+00 2.48 -4.109516935e+00 -4.109516935e+00 2.50 -4.159650220e+00 -4.159650220e+00 2.52 -4.197305608e+00 -4.197305608e+00 2.54 -4.223994913e+00 -4.223994913e+00 2.56 -4.241216056e+00 -4.241216056e+00 2.58 -4.249681800e+00 -4.249681800e+00 2.60 -4.250059496e+00 -4.250059496e+00 2.62 -4.242982927e+00 -4.242982927e+00 2.64 -4.229032198e+00 -4.229032198e+00 2.66 -4.208744274e+00 -4.208744274e+00 2.68 -4.182617602e+00 -4.182617602e+00 2.70 -4.151149499e+00 -4.151149499e+00 2.72 -4.114795886e+00 -4.114795886e+00 2.74 -4.073946288e+00 -4.073946288e+00 2.76 -4.028709166e+00 -4.028709166e+00 2.78 -3.979044291e+00 -3.979044291e+00 2.80 -3.924982433e+00 -3.924982433e+00 2.82 -3.866629737e+00 -3.866629737e+00 2.84 -3.804165977e+00 -3.804165977e+00 2.86 -3.737840470e+00 -3.737840470e+00 2.88 -3.667964150e+00 -3.667964150e+00 2.90 -3.594897133e+00 -3.594897133e+00 2.92 -3.519032129e+00 -3.519032129e+00 2.94 -3.440775254e+00 -3.440775254e+00 2.96 -3.360526726e+00 -3.360526726e+00 2.98 -3.278664212e+00 -3.278664212e+00 3.00 -3.195531098e+00 -3.195531098e+00 3.02 -3.111430698e+00 -3.111430698e+00 3.04 -3.026625968e+00 -3.026625968e+00 3.06 -2.941343296e+00 -2.941343296e+00 3.08 -2.855778662e+00 -2.855778662e+00 3.10 -2.770104965e+00 -2.770104965e+00 3.12 -2.684479924e+00 -2.684479924e+00 3.14 -2.599054423e+00 -2.599054423e+00 3.16 -2.513981129e+00 -2.513981129e+00 3.18 -2.429422839e+00 -2.429422839e+00 3.20 -2.345559576e+00 -2.345559576e+00 3.22 -2.262593239e+00 -2.262593239e+00 3.24 -2.180748722e+00 -2.180748722e+00 3.26 -2.100270875e+00 -2.100270875e+00 3.28 -2.021417315e+00 -2.021417315e+00 3.30 -1.944447813e+00 -1.944447813e+00 3.32 -1.869611557e+00 -1.869611557e+00 3.34 -1.797133994e+00 -1.797133994e+00 3.36 -1.727204981e+00 -1.727204981e+00 3.38 -1.659969720e+00 -1.659969720e+00 3.40 -1.595523429e+00 -1.595523429e+00 3.42 -1.533910073e+00 -1.533910073e+00 3.44 -1.475124843e+00 -1.475124843e+00 3.46 -1.419119629e+00 -1.419119629e+00 3.48 -1.365810469e+00 -1.365810469e+00 3.50 -1.315085924e+00 -1.315085924e+00 3.52 -1.266815460e+00 -1.266815460e+00 3.54 -1.220857141e+00 -1.220857141e+00 3.56 -1.177064211e+00 -1.177064211e+00 3.58 -1.135290346e+00 -1.135290346e+00 3.60 -1.095393583e+00 -1.095393583e+00 3.62 -1.057239022e+00 -1.057239022e+00 3.64 -1.020700490e+00 -1.020700490e+00 3.66 -9.856613645e-01 -9.856613645e-01 3.68 -9.520147727e-01 -9.520147727e-01 3.70 -9.196633346e-01 -9.196633346e-01 3.72 -8.885186138e-01 -8.885186138e-01 3.74 -8.585003928e-01 -8.585003928e-01 3.76 -8.295358668e-01 -8.295358668e-01 3.78 -8.015588267e-01 -8.015588267e-01 3.80 -7.745088795e-01 -7.745088795e-01 3.82 -7.483307423e-01 -7.483307423e-01 3.84 -7.229736333e-01 -7.229736333e-01 3.86 -6.983907772e-01 -6.983907772e-01 3.88 -6.745390347e-01 -6.745390347e-01 3.90 -6.513786616e-01 -6.513786616e-01 3.92 -6.288731978e-01 -6.288731978e-01 3.94 -6.069894814e-01 -6.069894814e-01 3.96 -5.856977653e-01 -5.856977653e-01 3.98 -5.649719196e-01 -5.649719196e-01 4.00 -5.447896701e-01 -5.447896701e-01 4.02 -5.251328255e-01 -5.251328255e-01 4.04 -5.059874252e-01 -5.059874252e-01 4.06 -4.873437426e-01 -4.873437426e-01 4.08 -4.691960812e-01 -4.691960812e-01 4.10 -4.515423260e-01 -4.515423260e-01 4.12 -4.343832505e-01 -4.343832505e-01 4.14 -4.177215997e-01 -4.177215997e-01 4.16 -4.015610565e-01 -4.015610565e-01 4.18 -3.859051785e-01 -3.859051785e-01 4.20 -3.707564301e-01 -3.707564301e-01 4.22 -3.561154036e-01 -3.561154036e-01 4.24 -3.419802836e-01 -3.419802836e-01 4.26 -3.283465591e-01 -3.283465591e-01 4.28 -3.152069429e-01 -3.152069429e-01 4.30 -3.025514335e-01 -3.025514335e-01 4.32 -2.903674186e-01 -2.903674186e-01 4.34 -2.786396128e-01 -2.786396128e-01 4.36 -2.673508322e-01 -2.673508322e-01 4.38 -2.564817396e-01 -2.564817396e-01 4.40 -2.460108969e-01 -2.460108969e-01 4.42 -2.359150117e-01 -2.359150117e-01 4.44 -2.261692561e-01 -2.261692561e-01 4.46 -2.167476720e-01 -2.167476720e-01 4.48 -2.076235700e-01 -2.076235700e-01 4.50 -1.987702679e-01 -1.987702679e-01 4.52 -1.901617030e-01 -1.901617030e-01 4.54 -1.817729395e-01 -1.817729395e-01 4.56 -1.735808142e-01 -1.735808142e-01 4.58 -1.655645533e-01 -1.655645533e-01 4.60 -1.577063372e-01 -1.577063372e-01 4.62 -1.499917915e-01 -1.499917915e-01 4.64 -1.424103798e-01 -1.424103798e-01 4.66 -1.349556728e-01 -1.349556728e-01 4.68 -1.276254651e-01 -1.276254651e-01 4.70 -1.204217166e-01 -1.204217166e-01 4.72 -1.133503023e-01 -1.133503023e-01 4.74 -1.064205696e-01 -1.064205696e-01 4.76 -9.964472028e-02 -9.964472028e-02 4.78 -9.303705716e-02 -9.303705716e-02 4.80 -8.661315079e-02 -8.661315079e-02 4.82 -8.038899936e-02 -8.038899936e-02 4.84 -7.438024085e-02 -7.438024085e-02 4.86 -6.860148969e-02 -6.860148969e-02 4.88 -6.306582492e-02 -6.306582492e-02 4.90 -5.778444593e-02 -5.778444593e-02 4.92 -5.276648085e-02 -5.276648085e-02 4.94 -4.801891422e-02 -4.801891422e-02 4.96 -4.354659095e-02 -4.354659095e-02 4.98 -3.935225510e-02 -3.935225510e-02 5.00 -3.543659283e-02 -3.543659283e-02 5.02 -3.179826500e-02 -3.179826500e-02 5.04 -2.843393017e-02 -2.843393017e-02 5.06 -2.533826743e-02 -2.533826743e-02 5.08 -2.250403125e-02 -2.250403125e-02 5.10 -1.992214677e-02 -1.992214677e-02 5.12 -1.758186156e-02 -1.758186156e-02 5.14 -1.547071262e-02 -1.547071262e-02 5.16 -1.357483615e-02 -1.357483615e-02 5.18 -1.188036808e-02 -1.188036808e-02 5.20 -1.037272914e-02 -1.037272914e-02 5.22 -9.036950198e-03 -9.036950198e-03 5.24 -7.858029645e-03 -7.858029645e-03 5.26 -6.821241516e-03 -6.821241516e-03 5.28 -5.912387161e-03 -5.912387161e-03 5.30 -5.117988604e-03 -5.117988604e-03 5.32 -4.425425717e-03 -4.425425717e-03 5.34 -3.823022461e-03 -3.823022461e-03 5.36 -3.300089267e-03 -3.300089267e-03 5.38 -2.846929505e-03 -2.846929505e-03 5.40 -2.454817950e-03 -2.454817950e-03 5.42 -2.115958663e-03 -2.115958663e-03 5.44 -1.823428733e-03 -1.823428733e-03 5.46 -1.571113329e-03 -1.571113329e-03 5.48 -1.353636398e-03 -1.353636398e-03 5.50 -1.166290345e-03 -1.166290345e-03 5.52 -1.004967164e-03 -1.004967164e-03 5.54 -8.660926944e-04 -8.660926944e-04 5.56 -7.465651279e-04 -7.465651279e-04 5.58 -6.436983757e-04 -6.436983757e-04 5.60 -5.551705777e-04 -5.551705777e-04 5.62 -4.789777658e-04 -4.789777658e-04 5.64 -4.133925212e-04 -4.133925212e-04 5.66 -3.569273476e-04 -3.569273476e-04 5.68 -3.083024127e-04 -3.083024127e-04 5.70 -2.664172792e-04 -2.664172792e-04 5.72 -2.303262322e-04 -2.303262322e-04 5.74 -1.992168226e-04 -1.992168226e-04 5.76 -1.723912597e-04 -1.723912597e-04 5.78 -1.492503158e-04 -1.492503158e-04 5.80 -1.292794314e-04 -1.292794314e-04 5.82 -1.120367398e-04 -1.120367398e-04 5.84 -9.714276180e-05 -9.714276180e-05 5.86 -8.427154600e-05 -8.427154600e-05 5.88 -7.314306031e-05 -7.314306031e-05 5.90 -6.351666182e-05 -6.351666182e-05 5.92 -5.518549574e-05 -5.518549574e-05 5.94 -4.797169303e-05 -4.797169303e-05 5.96 -4.172225417e-05 -4.172225417e-05 5.98 -3.630552158e-05 -3.630552158e-05 6.00 -3.160815686e-05 -3.160815686e-05