# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgAu2Ni # 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 2026-08-31 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 5.434103707e+06 5.434103707e+06 0.88 4.951574949e+06 4.951574949e+06 0.90 4.511559568e+06 4.511559568e+06 0.92 4.109554284e+06 4.109554284e+06 0.94 3.741576956e+06 3.741576956e+06 0.96 3.404172597e+06 3.404172597e+06 0.98 3.094243373e+06 3.094243373e+06 1.00 2.809066656e+06 2.809066656e+06 1.02 2.546259898e+06 2.546259898e+06 1.04 2.303738915e+06 2.303738915e+06 1.06 2.079627171e+06 2.079627171e+06 1.08 1.872268970e+06 1.872268970e+06 1.10 1.680128178e+06 1.680128178e+06 1.12 1.501870088e+06 1.501870088e+06 1.14 1.336299136e+06 1.336299136e+06 1.16 1.182315105e+06 1.182315105e+06 1.18 1.038955368e+06 1.038955368e+06 1.20 9.053441856e+05 9.053441856e+05 1.22 7.806791429e+05 7.806791429e+05 1.24 6.642647386e+05 6.642647386e+05 1.26 5.554723507e+05 5.554723507e+05 1.28 4.537316513e+05 4.537316513e+05 1.30 3.628142872e+05 3.628142872e+05 1.32 2.885267266e+05 2.885267266e+05 1.34 2.298161825e+05 2.298161825e+05 1.36 1.833317941e+05 1.833317941e+05 1.38 1.464572713e+05 1.464572713e+05 1.40 1.171501089e+05 1.171501089e+05 1.42 9.382103035e+04 9.382103035e+04 1.44 7.522162155e+04 7.522162155e+04 1.46 6.037284090e+04 6.037284090e+04 1.48 4.850359152e+04 4.850359152e+04 1.50 3.900300917e+04 3.900300917e+04 1.52 3.138836238e+04 3.138836238e+04 1.54 2.527917823e+04 2.527917823e+04 1.56 2.037286162e+04 2.037286162e+04 1.58 1.642857343e+04 1.642857343e+04 1.60 1.325520293e+04 1.325520293e+04 1.62 1.070021242e+04 1.070021242e+04 1.64 8.641434944e+03 8.641434944e+03 1.66 6.980925455e+03 6.980925455e+03 1.68 5.640331873e+03 5.640331873e+03 1.70 4.557569302e+03 4.557569302e+03 1.72 3.682794632e+03 3.682794632e+03 1.74 2.975794764e+03 2.975794764e+03 1.76 2.404213506e+03 2.404213506e+03 1.78 1.942069184e+03 1.942069184e+03 1.80 1.568394536e+03 1.568394536e+03 1.82 1.266256671e+03 1.266256671e+03 1.84 1.021974507e+03 1.021974507e+03 1.86 8.244897579e+02 8.244897579e+02 1.88 6.648597960e+02 6.648597960e+02 1.90 5.357903815e+02 5.357903815e+02 1.92 4.314309735e+02 4.314309735e+02 1.94 3.470853442e+02 3.470853442e+02 1.96 2.789425815e+02 2.789425815e+02 1.98 2.239189484e+02 2.239189484e+02 2.00 1.795123827e+02 1.795123827e+02 2.02 1.436839513e+02 1.436839513e+02 2.04 1.147939120e+02 1.147939120e+02 2.06 9.151558344e+01 9.151558344e+01 2.08 7.277277279e+01 7.277277279e+01 2.10 5.769289506e+01 5.769289506e+01 2.12 4.556854830e+01 4.556854830e+01 2.14 3.582701018e+01 3.582701018e+01 2.16 2.800507874e+01 2.800507874e+01 2.18 2.172811794e+01 2.172811794e+01 2.20 1.669261390e+01 1.669261390e+01 2.22 1.265374508e+01 1.265374508e+01 2.24 9.415266592e+00 9.415266592e+00 2.26 6.818061630e+00 6.818061630e+00 2.28 4.734754911e+00 4.734754911e+00 2.30 3.063438881e+00 3.063438881e+00 2.32 1.722090180e+00 1.722090180e+00 2.34 6.447976652e-01 6.447976652e-01 2.36 -2.213110534e-01 -2.213110534e-01 2.38 -9.185721989e-01 -9.185721989e-01 2.40 -1.480821669e+00 -1.480821669e+00 2.42 -1.935049449e+00 -1.935049449e+00 2.44 -2.302749791e+00 -2.302749791e+00 2.46 -2.601004273e+00 -2.601004273e+00 2.48 -2.843323035e+00 -2.843323035e+00 2.50 -3.040394268e+00 -3.040394268e+00 2.52 -3.200674075e+00 -3.200674075e+00 2.54 -3.330842907e+00 -3.330842907e+00 2.56 -3.436159376e+00 -3.436159376e+00 2.58 -3.520774989e+00 -3.520774989e+00 2.60 -3.587972306e+00 -3.587972306e+00 2.62 -3.640350097e+00 -3.640350097e+00 2.64 -3.679973062e+00 -3.679973062e+00 2.66 -3.708490664e+00 -3.708490664e+00 2.68 -3.727231072e+00 -3.727231072e+00 2.70 -3.737275079e+00 -3.737275079e+00 2.72 -3.739513968e+00 -3.739513968e+00 2.74 -3.734694541e+00 -3.734694541e+00 2.76 -3.723453930e+00 -3.723453930e+00 2.78 -3.706346290e+00 -3.706346290e+00 2.80 -3.683863097e+00 -3.683863097e+00 2.82 -3.656447353e+00 -3.656447353e+00 2.84 -3.624473009e+00 -3.624473009e+00 2.86 -3.588297857e+00 -3.588297857e+00 2.88 -3.548277054e+00 -3.548277054e+00 2.90 -3.504748084e+00 -3.504748084e+00 2.92 -3.458033646e+00 -3.458033646e+00 2.94 -3.408443546e+00 -3.408443546e+00 2.96 -3.356200150e+00 -3.356200150e+00 2.98 -3.301474420e+00 -3.301474420e+00 3.00 -3.244506622e+00 -3.244506622e+00 3.02 -3.185550280e+00 -3.185550280e+00 3.04 -3.124852760e+00 -3.124852760e+00 3.06 -3.062650937e+00 -3.062650937e+00 3.08 -2.999171158e+00 -2.999171158e+00 3.10 -2.934629183e+00 -2.934629183e+00 3.12 -2.869230123e+00 -2.869230123e+00 3.14 -2.803168408e+00 -2.803168408e+00 3.16 -2.736627782e+00 -2.736627782e+00 3.18 -2.669781341e+00 -2.669781341e+00 3.20 -2.602791611e+00 -2.602791611e+00 3.22 -2.535810676e+00 -2.535810676e+00 3.24 -2.468980346e+00 -2.468980346e+00 3.26 -2.402432355e+00 -2.402432355e+00 3.28 -2.336288616e+00 -2.336288616e+00 3.30 -2.270661487e+00 -2.270661487e+00 3.32 -2.205654079e+00 -2.205654079e+00 3.34 -2.141360580e+00 -2.141360580e+00 3.36 -2.077866601e+00 -2.077866601e+00 3.38 -2.015249537e+00 -2.015249537e+00 3.40 -1.953578935e+00 -1.953578935e+00 3.42 -1.892916875e+00 -1.892916875e+00 3.44 -1.833318346e+00 -1.833318346e+00 3.46 -1.774812875e+00 -1.774812875e+00 3.48 -1.717349274e+00 -1.717349274e+00 3.50 -1.660949342e+00 -1.660949342e+00 3.52 -1.605645687e+00 -1.605645687e+00 3.54 -1.551465932e+00 -1.551465932e+00 3.56 -1.498433027e+00 -1.498433027e+00 3.58 -1.446565570e+00 -1.446565570e+00 3.60 -1.395878101e+00 -1.395878101e+00 3.62 -1.346381396e+00 -1.346381396e+00 3.64 -1.298082748e+00 -1.298082748e+00 3.66 -1.250986233e+00 -1.250986233e+00 3.68 -1.205092965e+00 -1.205092965e+00 3.70 -1.160401344e+00 -1.160401344e+00 3.72 -1.116907281e+00 -1.116907281e+00 3.74 -1.074604425e+00 -1.074604425e+00 3.76 -1.033484367e+00 -1.033484367e+00 3.78 -9.935368365e-01 -9.935368365e-01 3.80 -9.547498877e-01 -9.547498877e-01 3.82 -9.171100713e-01 -9.171100713e-01 3.84 -8.806025986e-01 -8.806025986e-01 3.86 -8.452114939e-01 -8.452114939e-01 3.88 -8.109197361e-01 -8.109197361e-01 3.90 -7.777093923e-01 -7.777093923e-01 3.92 -7.455617406e-01 -7.455617406e-01 3.94 -7.144573848e-01 -7.144573848e-01 3.96 -6.843763608e-01 -6.843763608e-01 3.98 -6.552982347e-01 -6.552982347e-01 4.00 -6.272021932e-01 -6.272021932e-01 4.02 -6.000671272e-01 -6.000671272e-01 4.04 -5.738717081e-01 -5.738717081e-01 4.06 -5.485944584e-01 -5.485944584e-01 4.08 -5.242138154e-01 -5.242138154e-01 4.10 -5.007081902e-01 -5.007081902e-01 4.12 -4.780560202e-01 -4.780560202e-01 4.14 -4.562358181e-01 -4.562358181e-01 4.16 -4.352262146e-01 -4.352262146e-01 4.18 -4.150059982e-01 -4.150059982e-01 4.20 -3.955541504e-01 -3.955541504e-01 4.22 -3.768404585e-01 -3.768404585e-01 4.24 -3.588350190e-01 -3.588350190e-01 4.26 -3.415182837e-01 -3.415182837e-01 4.28 -3.248709859e-01 -3.248709859e-01 4.30 -3.088741576e-01 -3.088741576e-01 4.32 -2.935091457e-01 -2.935091457e-01 4.34 -2.787576254e-01 -2.787576254e-01 4.36 -2.646016121e-01 -2.646016121e-01 4.38 -2.510234707e-01 -2.510234707e-01 4.40 -2.380059240e-01 -2.380059240e-01 4.42 -2.255320584e-01 -2.255320584e-01 4.44 -2.135853294e-01 -2.135853294e-01 4.46 -2.021495641e-01 -2.021495641e-01 4.48 -1.912089646e-01 -1.912089646e-01 4.50 -1.807481078e-01 -1.807481078e-01 4.52 -1.707519466e-01 -1.707519466e-01 4.54 -1.612058082e-01 -1.612058082e-01 4.56 -1.520953931e-01 -1.520953931e-01 4.58 -1.434067721e-01 -1.434067721e-01 4.60 -1.351263838e-01 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-2.179941434e-02 -2.179941434e-02 5.14 -1.986914372e-02 -1.986914372e-02 5.16 -1.805107657e-02 -1.805107657e-02 5.18 -1.634163122e-02 -1.634163122e-02 5.20 -1.473730669e-02 -1.473730669e-02 5.22 -1.323467577e-02 -1.323467577e-02 5.24 -1.183039024e-02 -1.183039024e-02 5.26 -1.052118478e-02 -1.052118478e-02 5.28 -9.303879831e-03 -9.303879831e-03 5.30 -8.175383515e-03 -8.175383515e-03 5.32 -7.132692743e-03 -7.132692743e-03 5.34 -6.172893681e-03 -6.172893681e-03 5.36 -5.293161635e-03 -5.293161635e-03 5.38 -4.490760471e-03 -4.490760471e-03 5.40 -3.763041637e-03 -3.763041637e-03 5.42 -3.107442866e-03 -3.107442866e-03 5.44 -2.521486620e-03 -2.521486620e-03 5.46 -2.002778313e-03 -2.002778313e-03 5.48 -1.549004382e-03 -1.549004382e-03 5.50 -1.157930224e-03 -1.157930224e-03 5.52 -8.273980382e-04 -8.273980382e-04 5.54 -5.553246102e-04 -5.553246102e-04 5.56 -3.396990495e-04 -3.396990495e-04 5.58 -1.785805084e-04 -1.785805084e-04 5.60 -7.009589755e-05 -7.009589755e-05 5.62 -1.243761224e-05 -1.243761224e-05 5.64 2.199095067e-11 2.199095067e-11 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00