# 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 = Cu2PbPd # 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 2.173020939e+02 2.173020939e+02 1.30 2.015439116e+02 2.015439116e+02 1.32 1.869339761e+02 1.869339761e+02 1.34 1.733865741e+02 1.733865741e+02 1.36 1.608198961e+02 1.608198961e+02 1.38 1.491551536e+02 1.491551536e+02 1.40 1.383180946e+02 1.383180946e+02 1.42 1.282409891e+02 1.282409891e+02 1.44 1.188637242e+02 1.188637242e+02 1.46 1.101337214e+02 1.101337214e+02 1.48 1.020048195e+02 1.020048195e+02 1.50 9.443547653e+01 9.443547653e+01 1.52 8.738687542e+01 8.738687542e+01 1.54 8.082164456e+01 8.082164456e+01 1.56 7.470349484e+01 7.470349484e+01 1.58 6.899765770e+01 6.899765770e+01 1.60 6.367170473e+01 6.367170473e+01 1.62 5.870451085e+01 5.870451085e+01 1.64 5.408821307e+01 5.408821307e+01 1.66 4.979852019e+01 4.979852019e+01 1.68 4.581322382e+01 4.581322382e+01 1.70 4.211219023e+01 4.211219023e+01 1.72 3.867662640e+01 3.867662640e+01 1.74 3.548870710e+01 3.548870710e+01 1.76 3.253150761e+01 3.253150761e+01 1.78 2.978903272e+01 2.978903272e+01 1.80 2.724618326e+01 2.724618326e+01 1.82 2.488870016e+01 2.488870016e+01 1.84 2.270314455e+01 2.270314455e+01 1.86 2.067691227e+01 2.067691227e+01 1.88 1.879822970e+01 1.879822970e+01 1.90 1.705611831e+01 1.705611831e+01 1.92 1.544037538e+01 1.544037538e+01 1.94 1.394161317e+01 1.394161317e+01 1.96 1.255129491e+01 1.255129491e+01 1.98 1.126172794e+01 1.126172794e+01 2.00 1.006597996e+01 1.006597996e+01 2.02 8.957746208e+00 8.957746208e+00 2.04 7.931213129e+00 7.931213129e+00 2.06 6.980955696e+00 6.980955696e+00 2.08 6.101879006e+00 6.101879006e+00 2.10 5.289192147e+00 5.289192147e+00 2.12 4.538401319e+00 4.538401319e+00 2.14 3.845299611e+00 3.845299611e+00 2.16 3.205953356e+00 3.205953356e+00 2.18 2.616683813e+00 2.616683813e+00 2.20 2.074048532e+00 2.074048532e+00 2.22 1.574830672e+00 1.574830672e+00 2.24 1.116034526e+00 1.116034526e+00 2.26 6.948815530e-01 6.948815530e-01 2.28 3.087944751e-01 3.087944751e-01 2.30 -4.462983366e-02 -4.462983366e-02 2.32 -3.676644294e-01 -3.676644294e-01 2.34 -6.624798488e-01 -6.624798488e-01 2.36 -9.311634269e-01 -9.311634269e-01 2.38 -1.175712923e+00 -1.175712923e+00 2.40 -1.398019838e+00 -1.398019838e+00 2.42 -1.599853662e+00 -1.599853662e+00 2.44 -1.782854445e+00 -1.782854445e+00 2.46 -1.948533860e+00 -1.948533860e+00 2.48 -2.098279818e+00 -2.098279818e+00 2.50 -2.233359742e+00 -2.233359742e+00 2.52 -2.354920797e+00 -2.354920797e+00 2.54 -2.464026086e+00 -2.464026086e+00 2.56 -2.561885379e+00 -2.561885379e+00 2.58 -2.649221716e+00 -2.649221716e+00 2.60 -2.726600719e+00 -2.726600719e+00 2.62 -2.794838751e+00 -2.794838751e+00 2.64 -2.854538317e+00 -2.854538317e+00 2.66 -2.905798176e+00 -2.905798176e+00 2.68 -2.948814482e+00 -2.948814482e+00 2.70 -2.983871323e+00 -2.983871323e+00 2.72 -3.011336722e+00 -3.011336722e+00 2.74 -3.031659948e+00 -3.031659948e+00 2.76 -3.045312068e+00 -3.045312068e+00 2.78 -3.052762662e+00 -3.052762662e+00 2.80 -3.054497556e+00 -3.054497556e+00 2.82 -3.050978791e+00 -3.050978791e+00 2.84 -3.042626958e+00 -3.042626958e+00 2.86 -3.029830412e+00 -3.029830412e+00 2.88 -3.012957339e+00 -3.012957339e+00 2.90 -2.992366094e+00 -2.992366094e+00 2.92 -2.968411018e+00 -2.968411018e+00 2.94 -2.941442760e+00 -2.941442760e+00 2.96 -2.911803931e+00 -2.911803931e+00 2.98 -2.879822222e+00 -2.879822222e+00 3.00 -2.845803526e+00 -2.845803526e+00 3.02 -2.810055822e+00 -2.810055822e+00 3.04 -2.772824276e+00 -2.772824276e+00 3.06 -2.734298121e+00 -2.734298121e+00 3.08 -2.694645807e+00 -2.694645807e+00 3.10 -2.654020212e+00 -2.654020212e+00 3.12 -2.612558821e+00 -2.612558821e+00 3.14 -2.570387964e+00 -2.570387964e+00 3.16 -2.527619276e+00 -2.527619276e+00 3.18 -2.484351584e+00 -2.484351584e+00 3.20 -2.440663244e+00 -2.440663244e+00 3.22 -2.396618104e+00 -2.396618104e+00 3.24 -2.352269397e+00 -2.352269397e+00 3.26 -2.307659911e+00 -2.307659911e+00 3.28 -2.262823401e+00 -2.262823401e+00 3.30 -2.217787143e+00 -2.217787143e+00 3.32 -2.172575274e+00 -2.172575274e+00 3.34 -2.127212344e+00 -2.127212344e+00 3.36 -2.081726447e+00 -2.081726447e+00 3.38 -2.036151424e+00 -2.036151424e+00 3.40 -1.990527710e+00 -1.990527710e+00 3.42 -1.944902910e+00 -1.944902910e+00 3.44 -1.899329391e+00 -1.899329391e+00 3.46 -1.853863227e+00 -1.853863227e+00 3.48 -1.808561730e+00 -1.808561730e+00 3.50 -1.763481188e+00 -1.763481188e+00 3.52 -1.718674879e+00 -1.718674879e+00 3.54 -1.674191526e+00 -1.674191526e+00 3.56 -1.630074326e+00 -1.630074326e+00 3.58 -1.586360574e+00 -1.586360574e+00 3.60 -1.543081890e+00 -1.543081890e+00 3.62 -1.500264976e+00 -1.500264976e+00 3.64 -1.457932825e+00 -1.457932825e+00 3.66 -1.416106263e+00 -1.416106263e+00 3.68 -1.374805671e+00 -1.374805671e+00 3.70 -1.334052716e+00 -1.334052716e+00 3.72 -1.293871918e+00 -1.293871918e+00 3.74 -1.254291848e+00 -1.254291848e+00 3.76 -1.215345779e+00 -1.215345779e+00 3.78 -1.177071658e+00 -1.177071658e+00 3.80 -1.139511294e+00 -1.139511294e+00 3.82 -1.102708752e+00 -1.102708752e+00 3.84 -1.066708041e+00 -1.066708041e+00 3.86 -1.031550327e+00 -1.031550327e+00 3.88 -9.972709769e-01 -9.972709769e-01 3.90 -9.638968471e-01 -9.638968471e-01 3.92 -9.314438747e-01 -9.314438747e-01 3.94 -8.999173832e-01 -8.999173832e-01 3.96 -8.693098157e-01 -8.693098157e-01 3.98 -8.396033594e-01 -8.396033594e-01 4.00 -8.107714142e-01 -8.107714142e-01 4.02 -7.827809984e-01 -7.827809984e-01 4.04 -7.555953016e-01 -7.555953016e-01 4.06 -7.291760408e-01 -7.291760408e-01 4.08 -7.034853550e-01 -7.034853550e-01 4.10 -6.784860955e-01 -6.784860955e-01 4.12 -6.541465679e-01 -6.541465679e-01 4.14 -6.304340800e-01 -6.304340800e-01 4.16 -6.073191159e-01 -6.073191159e-01 4.18 -5.847735571e-01 -5.847735571e-01 4.20 -5.627701660e-01 -5.627701660e-01 4.22 -5.412823445e-01 -5.412823445e-01 4.24 -5.202843223e-01 -5.202843223e-01 4.26 -4.997518326e-01 -4.997518326e-01 4.28 -4.796632330e-01 -4.796632330e-01 4.30 -4.600009317e-01 -4.600009317e-01 4.32 -4.407529112e-01 -4.407529112e-01 4.34 -4.219140981e-01 -4.219140981e-01 4.36 -4.034873313e-01 -4.034873313e-01 4.38 -3.854837103e-01 -3.854837103e-01 4.40 -3.679221787e-01 -3.679221787e-01 4.42 -3.508282931e-01 -3.508282931e-01 4.44 -3.342322475e-01 -3.342322475e-01 4.46 -3.181663350e-01 -3.181663350e-01 4.48 -3.026621267e-01 -3.026621267e-01 4.50 -2.877476984e-01 -2.877476984e-01 4.52 -2.734452347e-01 -2.734452347e-01 4.54 -2.597692790e-01 -2.597692790e-01 4.56 -2.467257976e-01 -2.467257976e-01 4.58 -2.343120990e-01 -2.343120990e-01 4.60 -2.225175243e-01 -2.225175243e-01 4.62 -2.113247581e-01 -2.113247581e-01 4.64 -2.007115194e-01 -2.007115194e-01 4.66 -1.906523827e-01 -1.906523827e-01 4.68 -1.811205308e-01 -1.811205308e-01 4.70 -1.720892647e-01 -1.720892647e-01 4.72 -1.635327242e-01 -1.635327242e-01 4.74 -1.554271741e-01 -1.554271741e-01 4.76 -1.477521362e-01 -1.477521362e-01 4.78 -1.404890730e-01 -1.404890730e-01 4.80 -1.336203861e-01 -1.336203861e-01 4.82 -1.271323122e-01 -1.271323122e-01 4.84 -1.210092049e-01 -1.210092049e-01 4.86 -1.152366050e-01 -1.152366050e-01 4.88 -1.097998281e-01 -1.097998281e-01 4.90 -1.046836356e-01 -1.046836356e-01 4.92 -9.987206466e-02 -9.987206466e-02 4.94 -9.534841610e-02 -9.534841610e-02 4.96 -9.109537723e-02 -9.109537723e-02 4.98 -8.709524340e-02 -8.709524340e-02 5.00 -8.333019910e-02 -8.333019910e-02 5.02 -7.978262153e-02 -7.978262153e-02 5.04 -7.643537565e-02 -7.643537565e-02 5.06 -7.327207794e-02 -7.327207794e-02 5.08 -7.027731584e-02 -7.027731584e-02 5.10 -6.743681491e-02 -6.743681491e-02 5.12 -6.473755157e-02 -6.473755157e-02 5.14 -6.216781542e-02 -6.216781542e-02 5.16 -5.971722500e-02 -5.971722500e-02 5.18 -5.737670197e-02 -5.737670197e-02 5.20 -5.513840947e-02 -5.513840947e-02 5.22 -5.299566012e-02 -5.299566012e-02 5.24 -5.094279927e-02 -5.094279927e-02 5.26 -4.897506586e-02 -4.897506586e-02 5.28 -4.708840685e-02 -4.708840685e-02 5.30 -4.527941374e-02 -4.527941374e-02 5.32 -4.354513692e-02 -4.354513692e-02 5.34 -4.188292305e-02 -4.188292305e-02 5.36 -4.029028668e-02 -4.029028668e-02 5.38 -3.876480235e-02 -3.876480235e-02 5.40 -3.730402059e-02 -3.730402059e-02 5.42 -3.590540939e-02 -3.590540939e-02 5.44 -3.456632022e-02 -3.456632022e-02 5.46 -3.328397654e-02 -3.328397654e-02 5.48 -3.205548059e-02 -3.205548059e-02 5.50 -3.087783432e-02 -3.087783432e-02 5.52 -2.974796943e-02 -2.974796943e-02 5.54 -2.866278241e-02 -2.866278241e-02 5.56 -2.761917072e-02 -2.761917072e-02 5.58 -2.661406746e-02 -2.661406746e-02 5.60 -2.564447262e-02 -2.564447262e-02 5.62 -2.470747985e-02 -2.470747985e-02 5.64 -2.380029850e-02 -2.380029850e-02 5.66 -2.292027132e-02 -2.292027132e-02 5.68 -2.206488839e-02 -2.206488839e-02 5.70 -2.123179816e-02 -2.123179816e-02 5.72 -2.041881645e-02 -2.041881645e-02 5.74 -1.962393444e-02 -1.962393444e-02 5.76 -1.884532630e-02 -1.884532630e-02 5.78 -1.808135716e-02 -1.808135716e-02 5.80 -1.733059184e-02 -1.733059184e-02 5.82 -1.659180432e-02 -1.659180432e-02 5.84 -1.586398798e-02 -1.586398798e-02 5.86 -1.514636621e-02 -1.514636621e-02 5.88 -1.443840256e-02 -1.443840256e-02 5.90 -1.373980960e-02 -1.373980960e-02 5.92 -1.305055544e-02 -1.305055544e-02 5.94 -1.237085542e-02 -1.237085542e-02 5.96 -1.170112767e-02 -1.170112767e-02 5.98 -1.104210555e-02 -1.104210555e-02 6.00 -1.039476537e-02 -1.039476537e-02