# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1 # composition = Al2FeNi # 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 2025-12-17 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 4.278638752e+02 4.278638752e+02 1.12 nan nan 1.14 3.741261463e+02 3.741261463e+02 1.16 3.511838925e+02 3.511838925e+02 1.18 3.304044877e+02 3.304044877e+02 1.20 3.115064816e+02 3.115064816e+02 1.22 2.942362719e+02 2.942362719e+02 1.24 2.783601661e+02 2.783601661e+02 1.26 2.636729957e+02 2.636729957e+02 1.28 2.499832411e+02 2.499832411e+02 1.30 2.371010139e+02 2.371010139e+02 1.32 2.248446211e+02 2.248446211e+02 1.34 2.130828289e+02 2.130828289e+02 1.36 2.017062562e+02 2.017062562e+02 1.38 1.906258588e+02 1.906258588e+02 1.40 1.797757764e+02 1.797757764e+02 1.42 1.691105592e+02 1.691105592e+02 1.44 1.586038834e+02 1.586038834e+02 1.46 1.482489524e+02 1.482489524e+02 1.48 1.380543208e+02 1.380543208e+02 1.50 1.280431257e+02 1.280431257e+02 1.52 1.182666199e+02 1.182666199e+02 1.54 1.087784402e+02 1.087784402e+02 1.56 9.958876699e+01 9.958876699e+01 1.58 9.043766892e+01 9.043766892e+01 1.60 8.146804826e+01 8.146804826e+01 1.62 7.288352314e+01 7.288352314e+01 1.64 6.484112547e+01 6.484112547e+01 1.66 5.742170734e+01 5.742170734e+01 1.68 5.063506556e+01 5.063506556e+01 1.70 4.447484492e+01 4.447484492e+01 1.72 3.892160374e+01 3.892160374e+01 1.74 3.394429626e+01 3.394429626e+01 1.76 2.950397984e+01 2.950397984e+01 1.78 2.555691683e+01 2.555691683e+01 1.80 2.205688456e+01 2.205688456e+01 1.82 1.895684105e+01 1.895684105e+01 1.84 1.619651578e+01 1.619651578e+01 1.86 1.373412156e+01 1.373412156e+01 1.88 1.154489282e+01 1.154489282e+01 1.90 9.604852622e+00 9.604852622e+00 1.92 7.889974607e+00 7.889974607e+00 1.94 6.376025541e+00 6.376025541e+00 1.96 5.039159725e+00 5.039159725e+00 1.98 3.860336204e+00 3.860336204e+00 2.00 2.825027715e+00 2.825027715e+00 2.02 1.919875806e+00 1.919875806e+00 2.04 1.133009206e+00 1.133009206e+00 2.06 4.526234105e-01 4.526234105e-01 2.08 -1.318417519e-01 -1.318417519e-01 2.10 -6.306630798e-01 -6.306630798e-01 2.12 -1.067893114e+00 -1.067893114e+00 2.14 -1.462530541e+00 -1.462530541e+00 2.16 -1.818204990e+00 -1.818204990e+00 2.18 -2.138436514e+00 -2.138436514e+00 2.20 -2.426556333e+00 -2.426556333e+00 2.22 -2.685585464e+00 -2.685585464e+00 2.24 -2.918311555e+00 -2.918311555e+00 2.26 -3.127351883e+00 -3.127351883e+00 2.28 -3.315032675e+00 -3.315032675e+00 2.30 -3.483360367e+00 -3.483360367e+00 2.32 -3.634226696e+00 -3.634226696e+00 2.34 -3.769345039e+00 -3.769345039e+00 2.36 -3.889692673e+00 -3.889692673e+00 2.38 -3.995478720e+00 -3.995478720e+00 2.40 -4.086681106e+00 -4.086681106e+00 2.42 -4.163420859e+00 -4.163420859e+00 2.44 -4.226226082e+00 -4.226226082e+00 2.46 -4.275792353e+00 -4.275792353e+00 2.48 -4.313022680e+00 -4.313022680e+00 2.50 -4.338832612e+00 -4.338832612e+00 2.52 -4.354072270e+00 -4.354072270e+00 2.54 -4.359619619e+00 -4.359619619e+00 2.56 -4.356412697e+00 -4.356412697e+00 2.58 -4.345322303e+00 -4.345322303e+00 2.60 -4.327166494e+00 -4.327166494e+00 2.62 -4.302705274e+00 -4.302705274e+00 2.64 -4.272639159e+00 -4.272639159e+00 2.66 -4.237589654e+00 -4.237589654e+00 2.68 -4.198089163e+00 -4.198089163e+00 2.70 -4.154587096e+00 -4.154587096e+00 2.72 -4.107475042e+00 -4.107475042e+00 2.74 -4.057102550e+00 -4.057102550e+00 2.76 -4.003780109e+00 -4.003780109e+00 2.78 -3.947791471e+00 -3.947791471e+00 2.80 -3.889416020e+00 -3.889416020e+00 2.82 -3.828957931e+00 -3.828957931e+00 2.84 -3.766749835e+00 -3.766749835e+00 2.86 -3.703104727e+00 -3.703104727e+00 2.88 -3.638303516e+00 -3.638303516e+00 2.90 -3.572595951e+00 -3.572595951e+00 2.92 -3.506187988e+00 -3.506187988e+00 2.94 -3.439245686e+00 -3.439245686e+00 2.96 -3.371918828e+00 -3.371918828e+00 2.98 -3.304351380e+00 -3.304351380e+00 3.00 -3.236692319e+00 -3.236692319e+00 3.02 -3.169107793e+00 -3.169107793e+00 3.04 -3.101786821e+00 -3.101786821e+00 3.06 -3.034899676e+00 -3.034899676e+00 3.08 -2.968569354e+00 -2.968569354e+00 3.10 -2.902873110e+00 -2.902873110e+00 3.12 -2.837847646e+00 -2.837847646e+00 3.14 -2.773499710e+00 -2.773499710e+00 3.16 -2.709821167e+00 -2.709821167e+00 3.18 -2.646806452e+00 -2.646806452e+00 3.20 -2.584467756e+00 -2.584467756e+00 3.22 -2.522844878e+00 -2.522844878e+00 3.24 -2.462015022e+00 -2.462015022e+00 3.26 -2.402099930e+00 -2.402099930e+00 3.28 -2.343269646e+00 -2.343269646e+00 3.30 -2.285740839e+00 -2.285740839e+00 3.32 -2.229740523e+00 -2.229740523e+00 3.34 -2.175459214e+00 -2.175459214e+00 3.36 -2.123051581e+00 -2.123051581e+00 3.38 -2.072641454e+00 -2.072641454e+00 3.40 -2.024324265e+00 -2.024324265e+00 3.42 -1.978169881e+00 -1.978169881e+00 3.44 -1.934214881e+00 -1.934214881e+00 3.46 -1.892458310e+00 -1.892458310e+00 3.48 -1.852865033e+00 -1.852865033e+00 3.50 -1.815369566e+00 -1.815369566e+00 3.52 -1.779879829e+00 -1.779879829e+00 3.54 -1.746281999e+00 -1.746281999e+00 3.56 -1.714450437e+00 -1.714450437e+00 3.58 -1.684257150e+00 -1.684257150e+00 3.60 -1.655573877e+00 -1.655573877e+00 3.62 -1.628258205e+00 -1.628258205e+00 3.64 -1.602165863e+00 -1.602165863e+00 3.66 -1.577159123e+00 -1.577159123e+00 3.68 -1.553111289e+00 -1.553111289e+00 3.70 -1.529904541e+00 -1.529904541e+00 3.72 -1.507429078e+00 -1.507429078e+00 3.74 -1.485583590e+00 -1.485583590e+00 3.76 -1.464275543e+00 -1.464275543e+00 3.78 -1.443421324e+00 -1.443421324e+00 3.80 -1.422947444e+00 -1.422947444e+00 3.82 -1.402790363e+00 -1.402790363e+00 3.84 -1.382894586e+00 -1.382894586e+00 3.86 -1.363212224e+00 -1.363212224e+00 3.88 -1.343702588e+00 -1.343702588e+00 3.90 -1.324331661e+00 -1.324331661e+00 3.92 -1.305070941e+00 -1.305070941e+00 3.94 -1.285896305e+00 -1.285896305e+00 3.96 -1.266787413e+00 -1.266787413e+00 3.98 -1.247727168e+00 -1.247727168e+00 4.00 -1.228701150e+00 -1.228701150e+00 4.02 -1.209697055e+00 -1.209697055e+00 4.04 -1.190704135e+00 -1.190704135e+00 4.06 -1.171712623e+00 -1.171712623e+00 4.08 -1.152713176e+00 -1.152713176e+00 4.10 -1.133696314e+00 -1.133696314e+00 4.12 -1.114652668e+00 -1.114652668e+00 4.14 -1.095576854e+00 -1.095576854e+00 4.16 -1.076465986e+00 -1.076465986e+00 4.18 -1.057319137e+00 -1.057319137e+00 4.20 -1.038137342e+00 -1.038137342e+00 4.22 -1.018923476e+00 -1.018923476e+00 4.24 -9.996821311e-01 -9.996821311e-01 4.26 -9.804194778e-01 -9.804194778e-01 4.28 -9.611431303e-01 -9.611431303e-01 4.30 -9.418620033e-01 -9.418620033e-01 4.32 -9.225861671e-01 -9.225861671e-01 4.34 -9.033267044e-01 -9.033267044e-01 4.36 -8.840955597e-01 -8.840955597e-01 4.38 -8.649053910e-01 -8.649053910e-01 4.40 -8.457694262e-01 -8.457694262e-01 4.42 -8.267013214e-01 -8.267013214e-01 4.44 -8.077150080e-01 -8.077150080e-01 4.46 -7.888245892e-01 -7.888245892e-01 4.48 -7.700444045e-01 -7.700444045e-01 4.50 -7.513890359e-01 -7.513890359e-01 4.52 -7.328729943e-01 -7.328729943e-01 4.54 -7.145106245e-01 -7.145106245e-01 4.56 -6.963162329e-01 -6.963162329e-01 4.58 -6.783035214e-01 -6.783035214e-01 4.60 -6.604861780e-01 -6.604861780e-01 4.62 -6.428767248e-01 -6.428767248e-01 4.64 -6.254880147e-01 -6.254880147e-01 4.66 -6.083320085e-01 -6.083320085e-01 4.68 -5.914207251e-01 -5.914207251e-01 4.70 -5.747629201e-01 -5.747629201e-01 4.72 -5.583673593e-01 -5.583673593e-01 4.74 -5.422441658e-01 -5.422441658e-01 4.76 -5.264042337e-01 -5.264042337e-01 4.78 -5.108584192e-01 -5.108584192e-01 4.80 -4.956105475e-01 -4.956105475e-01 4.82 -4.806570800e-01 -4.806570800e-01 4.84 -4.659976723e-01 -4.659976723e-01 4.86 -4.516360298e-01 -4.516360298e-01 4.88 -4.375857678e-01 -4.375857678e-01 4.90 -4.238615012e-01 -4.238615012e-01 4.92 -4.104732110e-01 -4.104732110e-01 4.94 -3.974333905e-01 -3.974333905e-01 4.96 -3.847284700e-01 -3.847284700e-01 4.98 -3.723373171e-01 -3.723373171e-01 5.00 -3.602387461e-01 -3.602387461e-01 5.02 -3.484177571e-01 -3.484177571e-01 5.04 -3.368689707e-01 -3.368689707e-01 5.06 -3.255905784e-01 -3.255905784e-01 5.08 -3.145836234e-01 -3.145836234e-01 5.10 -3.038507480e-01 -3.038507480e-01 5.12 -2.933953512e-01 -2.933953512e-01 5.14 -2.832209811e-01 -2.832209811e-01 5.16 -2.733309468e-01 -2.733309468e-01 5.18 -2.637285540e-01 -2.637285540e-01 5.20 -2.544171795e-01 -2.544171795e-01 5.22 -2.453956594e-01 -2.453956594e-01 5.24 -2.366619092e-01 -2.366619092e-01 5.26 -2.282131498e-01 -2.282131498e-01 5.28 -2.200447581e-01 -2.200447581e-01 5.30 -2.121402460e-01 -2.121402460e-01 5.32 -2.045013200e-01 -2.045013200e-01 5.34 -1.971301832e-01 -1.971301832e-01 5.36 -1.900237326e-01 -1.900237326e-01 5.38 -1.831753052e-01 -1.831753052e-01 5.40 -1.765759644e-01 -1.765759644e-01 5.42 -1.702154976e-01 -1.702154976e-01 5.44 -1.640830926e-01 -1.640830926e-01 5.46 -1.581674682e-01 -1.581674682e-01 5.48 -1.524578233e-01 -1.524578233e-01 5.50 -1.469441774e-01 -1.469441774e-01 5.52 -1.416157804e-01 -1.416157804e-01 5.54 -1.364613106e-01 -1.364613106e-01 5.56 -1.314730262e-01 -1.314730262e-01 5.58 -1.266472831e-01 -1.266472831e-01 5.60 -1.219764228e-01 -1.219764228e-01 5.62 -1.174404916e-01 -1.174404916e-01 5.64 -1.130219668e-01 -1.130219668e-01 5.66 -1.087274168e-01 -1.087274168e-01 5.68 -1.045890024e-01 -1.045890024e-01 5.70 -1.006147799e-01 -1.006147799e-01 5.72 -9.677970727e-02 -9.677970727e-02 5.74 -9.298724643e-02 -9.298724643e-02 5.76 -8.918578759e-02 -8.918578759e-02 5.78 -8.534548746e-02 -8.534548746e-02 5.80 -8.161285904e-02 -8.161285904e-02 5.82 -7.807618046e-02 -7.807618046e-02 5.84 -7.490773146e-02 -7.490773146e-02 5.86 -7.216339637e-02 -7.216339637e-02 5.88 -6.963021114e-02 -6.963021114e-02 5.90 -6.715734196e-02 -6.715734196e-02 5.92 -6.460839426e-02 -6.460839426e-02 5.94 -6.176946310e-02 -6.176946310e-02 5.96 -5.854846162e-02 -5.854846162e-02 5.98 -5.502305068e-02 -5.502305068e-02 6.00 -5.125219088e-02 -5.125219088e-02