# 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 = AuNiPd2 # 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 3.716832232e+06 3.716832232e+06 0.88 3.397057140e+06 3.397057140e+06 0.90 3.105512248e+06 3.105512248e+06 0.92 2.839186296e+06 2.839186296e+06 0.94 2.595434953e+06 2.595434953e+06 0.96 2.371931333e+06 2.371931333e+06 0.98 2.166658155e+06 2.166658155e+06 1.00 1.977817403e+06 1.977817403e+06 1.02 1.803841052e+06 1.803841052e+06 1.04 1.643308942e+06 1.643308942e+06 1.06 1.494966796e+06 1.494966796e+06 1.08 1.357722776e+06 1.357722776e+06 1.10 1.230561512e+06 1.230561512e+06 1.12 1.112604036e+06 1.112604036e+06 1.14 1.003062654e+06 1.003062654e+06 1.16 9.012096189e+05 9.012096189e+05 1.18 8.064089335e+05 8.064089335e+05 1.20 7.180856408e+05 7.180856408e+05 1.22 6.357126885e+05 6.357126885e+05 1.24 5.587908767e+05 5.587908767e+05 1.26 4.868981195e+05 4.868981195e+05 1.28 4.196528258e+05 4.196528258e+05 1.30 3.567042076e+05 3.567042076e+05 1.32 2.977178564e+05 2.977178564e+05 1.34 2.424793596e+05 2.424793596e+05 1.36 1.935454719e+05 1.935454719e+05 1.38 1.544274944e+05 1.544274944e+05 1.40 1.233786441e+05 1.233786441e+05 1.42 9.869507150e+04 9.869507150e+04 1.44 7.903787407e+04 7.903787407e+04 1.46 6.336142276e+04 6.336142276e+04 1.48 5.084398569e+04 5.084398569e+04 1.50 4.083584575e+04 4.083584575e+04 1.52 3.282470085e+04 3.282470085e+04 1.54 2.640558323e+04 2.640558323e+04 1.56 2.125691092e+04 2.125691092e+04 1.58 1.712266939e+04 1.712266939e+04 1.60 1.379851618e+04 1.379851618e+04 1.62 1.112378754e+04 1.112378754e+04 1.64 8.970212541e+03 8.970212541e+03 1.66 7.235074015e+03 7.235074015e+03 1.68 5.836396752e+03 5.836396752e+03 1.70 4.708524831e+03 4.708524831e+03 1.72 3.798737748e+03 3.798737748e+03 1.74 3.064557560e+03 3.064557560e+03 1.76 2.471925202e+03 2.471925202e+03 1.78 1.993499433e+03 1.993499433e+03 1.80 1.607193125e+03 1.607193125e+03 1.82 1.295124044e+03 1.295124044e+03 1.84 1.043059062e+03 1.043059062e+03 1.86 8.395078894e+02 8.395078894e+02 1.88 6.751802031e+02 6.751802031e+02 1.90 5.425456745e+02 5.425456745e+02 1.92 4.355217988e+02 4.355217988e+02 1.94 3.492048859e+02 3.492048859e+02 1.96 2.796265412e+02 2.796265412e+02 1.98 2.235756371e+02 2.235756371e+02 2.00 1.784515018e+02 1.784515018e+02 2.02 1.421449973e+02 1.421449973e+02 2.04 1.129553841e+02 1.129553841e+02 2.06 8.950712971e+01 8.950712971e+01 2.08 7.068720069e+01 7.068720069e+01 2.10 5.559477765e+01 5.559477765e+01 2.12 4.350197202e+01 4.350197202e+01 2.14 3.382038496e+01 3.382038496e+01 2.16 2.607228187e+01 2.607228187e+01 2.18 1.987778382e+01 1.987778382e+01 2.20 1.493013285e+01 1.493013285e+01 2.22 1.098215558e+01 1.098215558e+01 2.24 7.835410855e+00 7.835410855e+00 2.26 5.329962381e+00 5.329962381e+00 2.28 3.337131085e+00 3.337131085e+00 2.30 1.753525640e+00 1.753525640e+00 2.32 4.961956611e-01 4.961956611e-01 2.34 -5.012874934e-01 -5.012874934e-01 2.36 -1.292018447e+00 -1.292018447e+00 2.38 -1.918362472e+00 -1.918362472e+00 2.40 -2.414053721e+00 -2.414053721e+00 2.42 -2.805896595e+00 -2.805896595e+00 2.44 -3.115150690e+00 -3.115150690e+00 2.46 -3.358643633e+00 -3.358643633e+00 2.48 -3.549628902e+00 -3.549628902e+00 2.50 -3.698544708e+00 -3.698544708e+00 2.52 -3.813602819e+00 -3.813602819e+00 2.54 -3.901250016e+00 -3.901250016e+00 2.56 -3.966511076e+00 -3.966511076e+00 2.58 -4.013342266e+00 -4.013342266e+00 2.60 -4.044854965e+00 -4.044854965e+00 2.62 -4.063494569e+00 -4.063494569e+00 2.64 -4.071189793e+00 -4.071189793e+00 2.66 -4.069470492e+00 -4.069470492e+00 2.68 -4.059560224e+00 -4.059560224e+00 2.70 -4.042423910e+00 -4.042423910e+00 2.72 -4.018847512e+00 -4.018847512e+00 2.74 -3.989506837e+00 -3.989506837e+00 2.76 -3.954976803e+00 -3.954976803e+00 2.78 -3.915756767e+00 -3.915756767e+00 2.80 -3.872289462e+00 -3.872289462e+00 2.82 -3.824902651e+00 -3.824902651e+00 2.84 -3.773887234e+00 -3.773887234e+00 2.86 -3.719575710e+00 -3.719575710e+00 2.88 -3.662285149e+00 -3.662285149e+00 2.90 -3.602315982e+00 -3.602315982e+00 2.92 -3.539954643e+00 -3.539954643e+00 2.94 -3.475475329e+00 -3.475475329e+00 2.96 -3.409109918e+00 -3.409109918e+00 2.98 -3.341074240e+00 -3.341074240e+00 3.00 -3.271584941e+00 -3.271584941e+00 3.02 -3.200869038e+00 -3.200869038e+00 3.04 -3.129147670e+00 -3.129147670e+00 3.06 -3.056631907e+00 -3.056631907e+00 3.08 -2.983522666e+00 -2.983522666e+00 3.10 -2.910010617e+00 -2.910010617e+00 3.12 -2.836276116e+00 -2.836276116e+00 3.14 -2.762489163e+00 -2.762489163e+00 3.16 -2.688809402e+00 -2.688809402e+00 3.18 -2.615386172e+00 -2.615386172e+00 3.20 -2.542358603e+00 -2.542358603e+00 3.22 -2.469855760e+00 -2.469855760e+00 3.24 -2.397996828e+00 -2.397996828e+00 3.26 -2.326891346e+00 -2.326891346e+00 3.28 -2.256639470e+00 -2.256639470e+00 3.30 -2.187291932e+00 -2.187291932e+00 3.32 -2.118870200e+00 -2.118870200e+00 3.34 -2.051449832e+00 -2.051449832e+00 3.36 -1.985099175e+00 -1.985099175e+00 3.38 -1.919879025e+00 -1.919879025e+00 3.40 -1.855842984e+00 -1.855842984e+00 3.42 -1.793037830e+00 -1.793037830e+00 3.44 -1.731503886e+00 -1.731503886e+00 3.46 -1.671267511e+00 -1.671267511e+00 3.48 -1.612326914e+00 -1.612326914e+00 3.50 -1.554702643e+00 -1.554702643e+00 3.52 -1.498413404e+00 -1.498413404e+00 3.54 -1.443473357e+00 -1.443473357e+00 3.56 -1.389892437e+00 -1.389892437e+00 3.58 -1.337676669e+00 -1.337676669e+00 3.60 -1.286828471e+00 -1.286828471e+00 3.62 -1.237346941e+00 -1.237346941e+00 3.64 -1.189228138e+00 -1.189228138e+00 3.66 -1.142465342e+00 -1.142465342e+00 3.68 -1.097049309e+00 -1.097049309e+00 3.70 -1.052968510e+00 -1.052968510e+00 3.72 -1.010209352e+00 -1.010209352e+00 3.74 -9.687563939e-01 -9.687563939e-01 3.76 -9.285925478e-01 -9.285925478e-01 3.78 -8.896992630e-01 -8.896992630e-01 3.80 -8.520567037e-01 -8.520567037e-01 3.82 -8.156439123e-01 -8.156439123e-01 3.84 -7.804389626e-01 -7.804389626e-01 3.86 -7.464191014e-01 -7.464191014e-01 3.88 -7.135608801e-01 -7.135608801e-01 3.90 -6.818402764e-01 -6.818402764e-01 3.92 -6.512328068e-01 -6.512328068e-01 3.94 -6.217136299e-01 -6.217136299e-01 3.96 -5.932576414e-01 -5.932576414e-01 3.98 -5.658395607e-01 -5.658395607e-01 4.00 -5.394340107e-01 -5.394340107e-01 4.02 -5.140155899e-01 -5.140155899e-01 4.04 -4.895589378e-01 -4.895589378e-01 4.06 -4.660387946e-01 -4.660387946e-01 4.08 -4.434300544e-01 -4.434300544e-01 4.10 -4.217078134e-01 -4.217078134e-01 4.12 -4.008474126e-01 -4.008474126e-01 4.14 -3.808244764e-01 -3.808244764e-01 4.16 -3.616149460e-01 -3.616149460e-01 4.18 -3.431951093e-01 -3.431951093e-01 4.20 -3.255416269e-01 -3.255416269e-01 4.22 -3.086208269e-01 -3.086208269e-01 4.24 -2.923995261e-01 -2.923995261e-01 4.26 -2.768564554e-01 -2.768564554e-01 4.28 -2.619707707e-01 -2.619707707e-01 4.30 -2.477220615e-01 -2.477220615e-01 4.32 -2.340903600e-01 -2.340903600e-01 4.34 -2.210561465e-01 -2.210561465e-01 4.36 -2.086003551e-01 -2.086003551e-01 4.38 -1.967043762e-01 -1.967043762e-01 4.40 -1.853500578e-01 -1.853500578e-01 4.42 -1.745197065e-01 -1.745197065e-01 4.44 -1.641960858e-01 -1.641960858e-01 4.46 -1.543624143e-01 -1.543624143e-01 4.48 -1.450023626e-01 -1.450023626e-01 4.50 -1.361000497e-01 -1.361000497e-01 4.52 -1.276400379e-01 -1.276400379e-01 4.54 -1.196073276e-01 -1.196073276e-01 4.56 -1.119873513e-01 -1.119873513e-01 4.58 -1.047659675e-01 -1.047659675e-01 4.60 -9.792945316e-02 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-9.395287359e-03 -9.395287359e-03 5.14 -8.189699217e-03 -8.189699217e-03 5.16 -7.090626549e-03 -7.090626549e-03 5.18 -6.094220818e-03 -6.094220818e-03 5.20 -5.196760932e-03 -5.196760932e-03 5.22 -4.394652441e-03 -4.394652441e-03 5.24 -3.684425988e-03 -3.684425988e-03 5.26 -3.062735140e-03 -3.062735140e-03 5.28 -2.526353753e-03 -2.526353753e-03 5.30 -2.072172950e-03 -2.072172950e-03 5.32 -1.697197830e-03 -1.697197830e-03 5.34 -1.398543953e-03 -1.398543953e-03 5.36 -1.173433361e-03 -1.173433361e-03 5.38 -9.929548835e-04 -9.929548835e-04 5.40 -8.295778065e-04 -8.295778065e-04 5.42 -6.826929926e-04 -6.826929926e-04 5.44 -5.517125450e-04 -5.517125450e-04 5.46 -4.360694230e-04 -4.360694230e-04 5.48 -3.352167408e-04 -3.352167408e-04 5.50 -2.486270832e-04 -2.486270832e-04 5.52 -1.757918375e-04 -1.757918375e-04 5.54 -1.162205426e-04 -1.162205426e-04 5.56 -6.944025681e-05 -6.944025681e-05 5.58 -3.499494250e-05 -3.499494250e-05 5.60 -1.244486983e-05 -1.244486983e-05 5.62 -1.366038085e-06 -1.366038085e-06 5.64 0.000000000e+00 0.000000000e+00 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