# 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 = CuPbTi2 # 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 2.754356939e+02 2.754356939e+02 1.30 2.561544081e+02 2.561544081e+02 1.32 2.382755480e+02 2.382755480e+02 1.34 2.216885276e+02 2.216885276e+02 1.36 2.062900383e+02 2.062900383e+02 1.38 1.919847848e+02 1.919847848e+02 1.40 1.786862306e+02 1.786862306e+02 1.42 1.663165489e+02 1.663165489e+02 1.44 1.548056428e+02 1.548056428e+02 1.46 1.440896489e+02 1.440896489e+02 1.48 1.341095925e+02 1.341095925e+02 1.50 1.248106954e+02 1.248106954e+02 1.52 1.161422790e+02 1.161422790e+02 1.54 1.080577629e+02 1.080577629e+02 1.56 1.005144180e+02 1.005144180e+02 1.58 9.347293851e+01 9.347293851e+01 1.60 8.689712242e+01 8.689712242e+01 1.62 8.075384072e+01 8.075384072e+01 1.64 7.501309688e+01 7.501309688e+01 1.66 6.964789650e+01 6.964789650e+01 1.68 6.463384766e+01 6.463384766e+01 1.70 5.994867971e+01 5.994867971e+01 1.72 5.557176146e+01 5.557176146e+01 1.74 5.148362091e+01 5.148362091e+01 1.76 4.766578233e+01 4.766578233e+01 1.78 4.410055959e+01 4.410055959e+01 1.80 4.077546849e+01 4.077546849e+01 1.82 3.767479560e+01 3.767479560e+01 1.84 3.478240317e+01 3.478240317e+01 1.86 3.208360162e+01 3.208360162e+01 1.88 2.956504029e+01 2.956504029e+01 1.90 2.721450895e+01 2.721450895e+01 1.92 2.502074925e+01 2.502074925e+01 1.94 2.297331939e+01 2.297331939e+01 1.96 2.106250761e+01 2.106250761e+01 1.98 1.927928019e+01 1.927928019e+01 2.00 1.761522910e+01 1.761522910e+01 2.02 1.606251038e+01 1.606251038e+01 2.04 1.461378265e+01 1.461378265e+01 2.06 1.326217201e+01 1.326217201e+01 2.08 1.200127350e+01 1.200127350e+01 2.10 1.082517668e+01 1.082517668e+01 2.12 9.728476616e+00 9.728476616e+00 2.14 8.706246541e+00 8.706246541e+00 2.16 7.753976359e+00 7.753976359e+00 2.18 6.867494173e+00 6.867494173e+00 2.20 6.042885049e+00 6.042885049e+00 2.22 5.276421450e+00 5.276421450e+00 2.24 4.564509267e+00 4.564509267e+00 2.26 3.903657909e+00 3.903657909e+00 2.28 3.290472505e+00 3.290472505e+00 2.30 2.721674558e+00 2.721674558e+00 2.32 2.194123009e+00 2.194123009e+00 2.34 1.704850418e+00 1.704850418e+00 2.36 1.251088680e+00 1.251088680e+00 2.38 8.302912195e-01 8.302912195e-01 2.40 4.401402448e-01 4.401402448e-01 2.42 7.853783280e-02 7.853783280e-02 2.44 -2.564164119e-01 -2.564164119e-01 2.46 -5.664530514e-01 -5.664530514e-01 2.48 -8.531601147e-01 -8.531601147e-01 2.50 -1.118005478e+00 -1.118005478e+00 2.52 -1.362352866e+00 -1.362352866e+00 2.54 -1.587472040e+00 -1.587472040e+00 2.56 -1.794545345e+00 -1.794545345e+00 2.58 -1.984673590e+00 -1.984673590e+00 2.60 -2.158883664e+00 -2.158883664e+00 2.62 -2.318176162e+00 -2.318176162e+00 2.64 -2.463529261e+00 -2.463529261e+00 2.66 -2.595716817e+00 -2.595716817e+00 2.68 -2.715494948e+00 -2.715494948e+00 2.70 -2.823612319e+00 -2.823612319e+00 2.72 -2.920804729e+00 -2.920804729e+00 2.74 -3.007786072e+00 -3.007786072e+00 2.76 -3.085237747e+00 -3.085237747e+00 2.78 -3.153797461e+00 -3.153797461e+00 2.80 -3.213964971e+00 -3.213964971e+00 2.82 -3.266080155e+00 -3.266080155e+00 2.84 -3.310537043e+00 -3.310537043e+00 2.86 -3.347818316e+00 -3.347818316e+00 2.88 -3.378102398e+00 -3.378102398e+00 2.90 -3.401589286e+00 -3.401589286e+00 2.92 -3.418524816e+00 -3.418524816e+00 2.94 -3.429193618e+00 -3.429193618e+00 2.96 -3.433912077e+00 -3.433912077e+00 2.98 -3.433022188e+00 -3.433022188e+00 3.00 -3.426886388e+00 -3.426886388e+00 3.02 -3.415888424e+00 -3.415888424e+00 3.04 -3.400438028e+00 -3.400438028e+00 3.06 -3.380946356e+00 -3.380946356e+00 3.08 -3.357807423e+00 -3.357807423e+00 3.10 -3.331391071e+00 -3.331391071e+00 3.12 -3.302034488e+00 -3.302034488e+00 3.14 -3.270041892e+00 -3.270041892e+00 3.16 -3.235680761e+00 -3.235680761e+00 3.18 -3.199188213e+00 -3.199188213e+00 3.20 -3.160774171e+00 -3.160774171e+00 3.22 -3.120624974e+00 -3.120624974e+00 3.24 -3.078906146e+00 -3.078906146e+00 3.26 -3.035764548e+00 -3.035764548e+00 3.28 -2.991330400e+00 -2.991330400e+00 3.30 -2.945719619e+00 -2.945719619e+00 3.32 -2.899042306e+00 -2.899042306e+00 3.34 -2.851421846e+00 -2.851421846e+00 3.36 -2.802927523e+00 -2.802927523e+00 3.38 -2.753623642e+00 -2.753623642e+00 3.40 -2.703580395e+00 -2.703580395e+00 3.42 -2.652875815e+00 -2.652875815e+00 3.44 -2.601596076e+00 -2.601596076e+00 3.46 -2.549837075e+00 -2.549837075e+00 3.48 -2.497704848e+00 -2.497704848e+00 3.50 -2.445315056e+00 -2.445315056e+00 3.52 -2.392786812e+00 -2.392786812e+00 3.54 -2.340241354e+00 -2.340241354e+00 3.56 -2.287803283e+00 -2.287803283e+00 3.58 -2.235594811e+00 -2.235594811e+00 3.60 -2.183729506e+00 -2.183729506e+00 3.62 -2.132306804e+00 -2.132306804e+00 3.64 -2.081408360e+00 -2.081408360e+00 3.66 -2.031096887e+00 -2.031096887e+00 3.68 -1.981417491e+00 -1.981417491e+00 3.70 -1.932400953e+00 -1.932400953e+00 3.72 -1.884068065e+00 -1.884068065e+00 3.74 -1.836434122e+00 -1.836434122e+00 3.76 -1.789512836e+00 -1.789512836e+00 3.78 -1.743319255e+00 -1.743319255e+00 3.80 -1.697871467e+00 -1.697871467e+00 3.82 -1.653191147e+00 -1.653191147e+00 3.84 -1.609303063e+00 -1.609303063e+00 3.86 -1.566233791e+00 -1.566233791e+00 3.88 -1.524009904e+00 -1.524009904e+00 3.90 -1.482655957e+00 -1.482655957e+00 3.92 -1.442192202e+00 -1.442192202e+00 3.94 -1.402634510e+00 -1.402634510e+00 3.96 -1.363990945e+00 -1.363990945e+00 3.98 -1.326262955e+00 -1.326262955e+00 4.00 -1.289445024e+00 -1.289445024e+00 4.02 -1.253525210e+00 -1.253525210e+00 4.04 -1.218485983e+00 -1.218485983e+00 4.06 -1.184305223e+00 -1.184305223e+00 4.08 -1.150957244e+00 -1.150957244e+00 4.10 -1.118412491e+00 -1.118412491e+00 4.12 -1.086643717e+00 -1.086643717e+00 4.14 -1.055618404e+00 -1.055618404e+00 4.16 -1.025305300e+00 -1.025305300e+00 4.18 -9.956734927e-01 -9.956734927e-01 4.20 -9.666930160e-01 -9.666930160e-01 4.22 -9.383354613e-01 -9.383354613e-01 4.24 -9.105746224e-01 -9.105746224e-01 4.26 -8.833871700e-01 -8.833871700e-01 4.28 -8.567533388e-01 -8.567533388e-01 4.30 -8.306575884e-01 -8.306575884e-01 4.32 -8.050891784e-01 -8.050891784e-01 4.34 -7.800425805e-01 -7.800425805e-01 4.36 -7.555176468e-01 -7.555176468e-01 4.38 -7.315194581e-01 -7.315194581e-01 4.40 -7.080578003e-01 -7.080578003e-01 4.42 -6.851462549e-01 -6.851462549e-01 4.44 -6.628009417e-01 -6.628009417e-01 4.46 -6.410390042e-01 -6.410390042e-01 4.48 -6.198769731e-01 -6.198769731e-01 4.50 -5.993291689e-01 -5.993291689e-01 4.52 -5.794063046e-01 -5.794063046e-01 4.54 -5.601144191e-01 -5.601144191e-01 4.56 -5.414542237e-01 -5.414542237e-01 4.58 -5.234208848e-01 -5.234208848e-01 4.60 -5.060042096e-01 -5.060042096e-01 4.62 -4.891891586e-01 -4.891891586e-01 4.64 -4.729565866e-01 -4.729565866e-01 4.66 -4.572841099e-01 -4.572841099e-01 4.68 -4.421470077e-01 -4.421470077e-01 4.70 -4.275190886e-01 -4.275190886e-01 4.72 -4.133734773e-01 -4.133734773e-01 4.74 -3.996833001e-01 -3.996833001e-01 4.76 -3.864222658e-01 -3.864222658e-01 4.78 -3.735651521e-01 -3.735651521e-01 4.80 -3.610874164e-01 -3.610874164e-01 4.82 -3.489688602e-01 -3.489688602e-01 4.84 -3.371887456e-01 -3.371887456e-01 4.86 -3.257296722e-01 -3.257296722e-01 4.88 -3.145768503e-01 -3.145768503e-01 4.90 -3.037182719e-01 -3.037182719e-01 4.92 -2.931448097e-01 -2.931448097e-01 4.94 -2.828502179e-01 -2.828502179e-01 4.96 -2.728310092e-01 -2.728310092e-01 4.98 -2.630861862e-01 -2.630861862e-01 5.00 -2.536168194e-01 -2.536168194e-01 5.02 -2.444254831e-01 -2.444254831e-01 5.04 -2.355155821e-01 -2.355155821e-01 5.06 -2.268906242e-01 -2.268906242e-01 5.08 -2.185535037e-01 -2.185535037e-01 5.10 -2.105058693e-01 -2.105058693e-01 5.12 -2.027476339e-01 -2.027476339e-01 5.14 -1.952766680e-01 -1.952766680e-01 5.16 -1.880886889e-01 -1.880886889e-01 5.18 -1.811773309e-01 -1.811773309e-01 5.20 -1.745343616e-01 -1.745343616e-01 5.22 -1.681499945e-01 -1.681499945e-01 5.24 -1.620132473e-01 -1.620132473e-01 5.26 -1.561122983e-01 -1.561122983e-01 5.28 -1.504348080e-01 -1.504348080e-01 5.30 -1.449681839e-01 -1.449681839e-01 5.32 -1.396997805e-01 -1.396997805e-01 5.34 -1.346170377e-01 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-3.760403632e-02 -3.760403632e-02 5.88 -3.491530227e-02 -3.491530227e-02 5.90 -3.234734967e-02 -3.234734967e-02 5.92 -2.990444575e-02 -2.990444575e-02 5.94 -2.758894651e-02 -2.758894651e-02 5.96 -2.540228193e-02 -2.540228193e-02 5.98 -2.334441418e-02 -2.334441418e-02 6.00 -2.141386071e-02 -2.141386071e-02