# 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 = AgAuPd2 # 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 4.060867425e+06 4.060867425e+06 0.88 3.715051683e+06 3.715051683e+06 0.90 3.399612782e+06 3.399612782e+06 0.92 3.111305264e+06 3.111305264e+06 0.94 2.847288109e+06 2.847288109e+06 0.96 2.605075380e+06 2.605075380e+06 0.98 2.382482445e+06 2.382482445e+06 1.00 2.177571664e+06 2.177571664e+06 1.02 1.988665875e+06 1.988665875e+06 1.04 1.814251756e+06 1.814251756e+06 1.06 1.652986512e+06 1.652986512e+06 1.08 1.503690816e+06 1.503690816e+06 1.10 1.365260359e+06 1.365260359e+06 1.12 1.236750506e+06 1.236750506e+06 1.14 1.117321338e+06 1.117321338e+06 1.16 1.006196479e+06 1.006196479e+06 1.18 9.026861307e+05 9.026861307e+05 1.20 8.061747466e+05 8.061747466e+05 1.22 7.160887063e+05 7.160887063e+05 1.24 6.318924953e+05 6.318924953e+05 1.26 5.531340125e+05 5.531340125e+05 1.28 4.794061593e+05 4.794061593e+05 1.30 4.103352324e+05 4.103352324e+05 1.32 3.455582629e+05 3.455582629e+05 1.34 2.849799511e+05 2.849799511e+05 1.36 2.304505930e+05 2.304505930e+05 1.38 1.850193366e+05 1.850193366e+05 1.40 1.487531292e+05 1.487531292e+05 1.42 1.197566668e+05 1.197566668e+05 1.44 9.653182369e+04 9.653182369e+04 1.46 7.790201038e+04 7.790201038e+04 1.48 6.293786245e+04 6.293786245e+04 1.50 5.090042252e+04 5.090042252e+04 1.52 4.120525809e+04 4.120525809e+04 1.54 3.338783434e+04 3.338783434e+04 1.56 2.707708820e+04 2.707708820e+04 1.58 2.197586894e+04 2.197586894e+04 1.60 1.784628816e+04 1.784628816e+04 1.62 1.450047374e+04 1.450047374e+04 1.64 1.178754961e+04 1.178754961e+04 1.66 9.585780872e+03 9.585780872e+03 1.68 7.797725180e+03 7.797725180e+03 1.70 6.344926770e+03 6.344926770e+03 1.72 5.164003322e+03 5.164003322e+03 1.74 4.203650346e+03 4.203650346e+03 1.76 3.422299560e+03 3.422299560e+03 1.78 2.786395392e+03 2.786395392e+03 1.80 2.268655343e+03 2.268655343e+03 1.82 1.846835121e+03 1.846835121e+03 1.84 1.503131302e+03 1.503131302e+03 1.86 1.223074945e+03 1.223074945e+03 1.88 9.948864718e+02 9.948864718e+02 1.90 8.089662865e+02 8.089662865e+02 1.92 6.574925687e+02 6.574925687e+02 1.94 5.341015670e+02 5.341015670e+02 1.96 4.336071683e+02 4.336071683e+02 1.98 3.517797541e+02 3.517797541e+02 2.00 2.851672127e+02 2.851672127e+02 2.02 2.309369311e+02 2.309369311e+02 2.04 1.867993409e+02 1.867993409e+02 2.06 1.508913143e+02 1.508913143e+02 2.08 1.216912982e+02 1.216912982e+02 2.10 9.795613559e+01 9.795613559e+01 2.12 7.867192484e+01 7.867192484e+01 2.14 6.300995837e+01 6.300995837e+01 2.16 5.028853610e+01 5.028853610e+01 2.18 3.996085835e+01 3.996085835e+01 2.20 3.157960784e+01 3.157960784e+01 2.22 2.478004011e+01 2.478004011e+01 2.24 1.926749173e+01 1.926749173e+01 2.26 1.480130177e+01 1.480130177e+01 2.28 1.118515436e+01 1.118515436e+01 2.30 8.259041433e+00 8.259041433e+00 2.32 5.892616247e+00 5.892616247e+00 2.34 3.979807102e+00 3.979807102e+00 2.36 2.434399126e+00 2.434399126e+00 2.38 1.186389291e+00 1.186389291e+00 2.40 1.790023727e-01 1.790023727e-01 2.42 -6.337518859e-01 -6.337518859e-01 2.44 -1.289080858e+00 -1.289080858e+00 2.46 -1.817082439e+00 -1.817082439e+00 2.48 -2.242021912e+00 -2.242021912e+00 2.50 -2.583413163e+00 -2.583413163e+00 2.52 -2.856975352e+00 -2.856975352e+00 2.54 -3.075357703e+00 -3.075357703e+00 2.56 -3.248729974e+00 -3.248729974e+00 2.58 -3.385263125e+00 -3.385263125e+00 2.60 -3.491519988e+00 -3.491519988e+00 2.62 -3.572772272e+00 -3.572772272e+00 2.64 -3.633257322e+00 -3.633257322e+00 2.66 -3.676385671e+00 -3.676385671e+00 2.68 -3.704908452e+00 -3.704908452e+00 2.70 -3.721029758e+00 -3.721029758e+00 2.72 -3.726536073e+00 -3.726536073e+00 2.74 -3.722905749e+00 -3.722905749e+00 2.76 -3.711356263e+00 -3.711356263e+00 2.78 -3.692899165e+00 -3.692899165e+00 2.80 -3.668383531e+00 -3.668383531e+00 2.82 -3.638469602e+00 -3.638469602e+00 2.84 -3.603703460e+00 -3.603703460e+00 2.86 -3.564605767e+00 -3.564605767e+00 2.88 -3.521644360e+00 -3.521644360e+00 2.90 -3.475236833e+00 -3.475236833e+00 2.92 -3.425760039e+00 -3.425760039e+00 2.94 -3.373557465e+00 -3.373557465e+00 2.96 -3.318899658e+00 -3.318899658e+00 2.98 -3.262004542e+00 -3.262004542e+00 3.00 -3.203140859e+00 -3.203140859e+00 3.02 -3.142562650e+00 -3.142562650e+00 3.04 -3.080508848e+00 -3.080508848e+00 3.06 -3.017204707e+00 -3.017204707e+00 3.08 -2.952862849e+00 -2.952862849e+00 3.10 -2.887684062e+00 -2.887684062e+00 3.12 -2.821857887e+00 -2.821857887e+00 3.14 -2.755563072e+00 -2.755563072e+00 3.16 -2.688967933e+00 -2.688967933e+00 3.18 -2.622230648e+00 -2.622230648e+00 3.20 -2.555499518e+00 -2.555499518e+00 3.22 -2.488913207e+00 -2.488913207e+00 3.24 -2.422600976e+00 -2.422600976e+00 3.26 -2.356682921e+00 -2.356682921e+00 3.28 -2.291270218e+00 -2.291270218e+00 3.30 -2.226427818e+00 -2.226427818e+00 3.32 -2.162192914e+00 -2.162192914e+00 3.34 -2.098652606e+00 -2.098652606e+00 3.36 -2.035886991e+00 -2.035886991e+00 3.38 -1.973968798e+00 -1.973968798e+00 3.40 -1.912963685e+00 -1.912963685e+00 3.42 -1.852930545e+00 -1.852930545e+00 3.44 -1.793921817e+00 -1.793921817e+00 3.46 -1.735974592e+00 -1.735974592e+00 3.48 -1.679073697e+00 -1.679073697e+00 3.50 -1.623242290e+00 -1.623242290e+00 3.52 -1.568510417e+00 -1.568510417e+00 3.54 -1.514903468e+00 -1.514903468e+00 3.56 -1.462442458e+00 -1.462442458e+00 3.58 -1.411144315e+00 -1.411144315e+00 3.60 -1.361022149e+00 -1.361022149e+00 3.62 -1.312085517e+00 -1.312085517e+00 3.64 -1.264340679e+00 -1.264340679e+00 3.66 -1.217790845e+00 -1.217790845e+00 3.68 -1.172436411e+00 -1.172436411e+00 3.70 -1.128275184e+00 -1.128275184e+00 3.72 -1.085302598e+00 -1.085302598e+00 3.74 -1.043511920e+00 -1.043511920e+00 3.76 -1.002894445e+00 -1.002894445e+00 3.78 -9.634396825e-01 -9.634396825e-01 3.80 -9.251355272e-01 -9.251355272e-01 3.82 -8.879684271e-01 -8.879684271e-01 3.84 -8.519235371e-01 -8.519235371e-01 3.86 -8.169848644e-01 -8.169848644e-01 3.88 -7.831354054e-01 -7.831354054e-01 3.90 -7.503572723e-01 -7.503572723e-01 3.92 -7.186318122e-01 -7.186318122e-01 3.94 -6.879397176e-01 -6.879397176e-01 3.96 -6.582611292e-01 -6.582611292e-01 3.98 -6.295757305e-01 -6.295757305e-01 4.00 -6.018628366e-01 -6.018628366e-01 4.02 -5.751014745e-01 -5.751014745e-01 4.04 -5.492704583e-01 -5.492704583e-01 4.06 -5.243484575e-01 -5.243484575e-01 4.08 -5.003140599e-01 -5.003140599e-01 4.10 -4.771458289e-01 -4.771458289e-01 4.12 -4.548223556e-01 -4.548223556e-01 4.14 -4.333223064e-01 -4.333223064e-01 4.16 -4.126244658e-01 -4.126244658e-01 4.18 -3.927077748e-01 -3.927077748e-01 4.20 -3.735513661e-01 -3.735513661e-01 4.22 -3.551345946e-01 -3.551345946e-01 4.24 -3.374370655e-01 -3.374370655e-01 4.26 -3.204386584e-01 -3.204386584e-01 4.28 -3.041195487e-01 -3.041195487e-01 4.30 -2.884602267e-01 -2.884602267e-01 4.32 -2.734415133e-01 -2.734415133e-01 4.34 -2.590445744e-01 -2.590445744e-01 4.36 -2.452509320e-01 -2.452509320e-01 4.38 -2.320424744e-01 -2.320424744e-01 4.40 -2.194014637e-01 -2.194014637e-01 4.42 -2.073105425e-01 -2.073105425e-01 4.44 -1.957527379e-01 -1.957527379e-01 4.46 -1.847114655e-01 -1.847114655e-01 4.48 -1.741705308e-01 -1.741705308e-01 4.50 -1.641141307e-01 -1.641141307e-01 4.52 -1.545268529e-01 -1.545268529e-01 4.54 -1.453936747e-01 -1.453936747e-01 4.56 -1.366999615e-01 -1.366999615e-01 4.58 -1.284314636e-01 -1.284314636e-01 4.60 -1.205743131e-01 -1.205743131e-01 4.62 -1.131150198e-01 -1.131150198e-01 4.64 -1.060404666e-01 -1.060404666e-01 4.66 -9.932387200e-02 -9.932387200e-02 4.68 -9.293360963e-02 -9.293360963e-02 4.70 -8.685882412e-02 -8.685882412e-02 4.72 -8.108911960e-02 -8.108911960e-02 4.74 -7.561439861e-02 -7.561439861e-02 4.76 -7.042485681e-02 -7.042485681e-02 4.78 -6.551097753e-02 -6.551097753e-02 4.80 -6.086352613e-02 -6.086352613e-02 4.82 -5.647354448e-02 -5.647354448e-02 4.84 -5.233234590e-02 -5.233234590e-02 4.86 -4.843150602e-02 -4.843150602e-02 4.88 -4.476255012e-02 -4.476255012e-02 4.90 -4.130359690e-02 -4.130359690e-02 4.92 -3.803241206e-02 -3.803241206e-02 4.94 -3.494224936e-02 -3.494224936e-02 4.96 -3.202689909e-02 -3.202689909e-02 4.98 -2.928003492e-02 -2.928003492e-02 5.00 -2.669607699e-02 -2.669607699e-02 5.02 -2.426966179e-02 -2.426966179e-02 5.04 -2.199553542e-02 -2.199553542e-02 5.06 -1.986856416e-02 -1.986856416e-02 5.08 -1.788374249e-02 -1.788374249e-02 5.10 -1.603619879e-02 -1.603619879e-02 5.12 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-7.412672095e-06 5.64 1.559016533e-11 1.559016533e-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