# 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 = AgNiPb2 # 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 3.084935984e+02 3.084935984e+02 1.30 2.874427834e+02 2.874427834e+02 1.32 2.678876954e+02 2.678876954e+02 1.34 2.497115298e+02 2.497115298e+02 1.36 2.328066632e+02 2.328066632e+02 1.38 2.170735524e+02 2.170735524e+02 1.40 2.024207746e+02 2.024207746e+02 1.42 1.887654541e+02 1.887654541e+02 1.44 1.760330177e+02 1.760330177e+02 1.46 1.641562159e+02 1.641562159e+02 1.48 1.530739872e+02 1.530739872e+02 1.50 1.427304446e+02 1.427304446e+02 1.52 1.330738875e+02 1.330738875e+02 1.54 1.240559682e+02 1.240559682e+02 1.56 1.156311697e+02 1.156311697e+02 1.58 1.077567400e+02 1.077567400e+02 1.60 1.003928645e+02 1.003928645e+02 1.62 9.350291750e+01 9.350291750e+01 1.64 8.705354781e+01 8.705354781e+01 1.66 8.101454973e+01 8.101454973e+01 1.68 7.536034109e+01 7.536034109e+01 1.70 7.007884595e+01 7.007884595e+01 1.72 6.514777979e+01 6.514777979e+01 1.74 6.054348501e+01 6.054348501e+01 1.76 5.624377389e+01 5.624377389e+01 1.78 5.222796042e+01 5.222796042e+01 1.80 4.847684818e+01 4.847684818e+01 1.82 4.497265928e+01 4.497265928e+01 1.84 4.169892468e+01 4.169892468e+01 1.86 3.864037186e+01 3.864037186e+01 1.88 3.578282111e+01 3.578282111e+01 1.90 3.311306337e+01 3.311306337e+01 1.92 3.061873364e+01 3.061873364e+01 1.94 2.828824985e+01 2.828824985e+01 1.96 2.611077867e+01 2.611077867e+01 1.98 2.407623364e+01 2.407623364e+01 2.00 2.217525136e+01 2.217525136e+01 2.02 2.039913579e+01 2.039913579e+01 2.04 1.873978466e+01 1.873978466e+01 2.06 1.718963073e+01 1.718963073e+01 2.08 1.574161555e+01 1.574161555e+01 2.10 1.438917428e+01 1.438917428e+01 2.12 1.312622789e+01 1.312622789e+01 2.14 1.194714925e+01 1.194714925e+01 2.16 1.084671676e+01 1.084671676e+01 2.18 9.820062278e+00 9.820062278e+00 2.20 8.862620429e+00 8.862620429e+00 2.22 7.970094947e+00 7.970094947e+00 2.24 7.138438804e+00 7.138438804e+00 2.26 6.363846948e+00 6.363846948e+00 2.28 5.642755404e+00 5.642755404e+00 2.30 4.971832985e+00 4.971832985e+00 2.32 4.347959876e+00 4.347959876e+00 2.34 3.768207301e+00 3.768207301e+00 2.36 3.229798097e+00 3.229798097e+00 2.38 2.730081155e+00 2.730081155e+00 2.40 2.266517523e+00 2.266517523e+00 2.42 1.836682453e+00 1.836682453e+00 2.44 1.438278452e+00 1.438278452e+00 2.46 1.069152852e+00 1.069152852e+00 2.48 7.273114616e-01 7.273114616e-01 2.50 4.109240472e-01 4.109240472e-01 2.52 1.183203971e-01 1.183203971e-01 2.54 -1.520216397e-01 -1.520216397e-01 2.56 -4.014933911e-01 -4.014933911e-01 2.58 -6.313732519e-01 -6.313732519e-01 2.60 -8.428492535e-01 -8.428492535e-01 2.62 -1.037036545e+00 -1.037036545e+00 2.64 -1.214996457e+00 -1.214996457e+00 2.66 -1.377741263e+00 -1.377741263e+00 2.68 -1.526246081e+00 -1.526246081e+00 2.70 -1.661451109e+00 -1.661451109e+00 2.72 -1.784239974e+00 -1.784239974e+00 2.74 -1.895369977e+00 -1.895369977e+00 2.76 -1.995555301e+00 -1.995555301e+00 2.78 -2.085487945e+00 -2.085487945e+00 2.80 -2.165830107e+00 -2.165830107e+00 2.82 -2.237204639e+00 -2.237204639e+00 2.84 -2.300192458e+00 -2.300192458e+00 2.86 -2.355331454e+00 -2.355331454e+00 2.88 -2.403118846e+00 -2.403118846e+00 2.90 -2.444036124e+00 -2.444036124e+00 2.92 -2.478587068e+00 -2.478587068e+00 2.94 -2.507108281e+00 -2.507108281e+00 2.96 -2.529910392e+00 -2.529910392e+00 2.98 -2.547301041e+00 -2.547301041e+00 3.00 -2.559586804e+00 -2.559586804e+00 3.02 -2.567074786e+00 -2.567074786e+00 3.04 -2.570072940e+00 -2.570072940e+00 3.06 -2.568893108e+00 -2.568893108e+00 3.08 -2.563846811e+00 -2.563846811e+00 3.10 -2.555251282e+00 -2.555251282e+00 3.12 -2.543420615e+00 -2.543420615e+00 3.14 -2.528723969e+00 -2.528723969e+00 3.16 -2.511445390e+00 -2.511445390e+00 3.18 -2.491807267e+00 -2.491807267e+00 3.20 -2.470032471e+00 -2.470032471e+00 3.22 -2.446338473e+00 -2.446338473e+00 3.24 -2.420931877e+00 -2.420931877e+00 3.26 -2.394003990e+00 -2.394003990e+00 3.28 -2.365727945e+00 -2.365727945e+00 3.30 -2.336256119e+00 -2.336256119e+00 3.32 -2.305708709e+00 -2.305708709e+00 3.34 -2.274183648e+00 -2.274183648e+00 3.36 -2.241769440e+00 -2.241769440e+00 3.38 -2.208547038e+00 -2.208547038e+00 3.40 -2.174591159e+00 -2.174591159e+00 3.42 -2.139972718e+00 -2.139972718e+00 3.44 -2.104757517e+00 -2.104757517e+00 3.46 -2.069007982e+00 -2.069007982e+00 3.48 -2.032782923e+00 -2.032782923e+00 3.50 -1.996137627e+00 -1.996137627e+00 3.52 -1.959124051e+00 -1.959124051e+00 3.54 -1.921791177e+00 -1.921791177e+00 3.56 -1.884185580e+00 -1.884185580e+00 3.58 -1.846352180e+00 -1.846352180e+00 3.60 -1.808335134e+00 -1.808335134e+00 3.62 -1.770178806e+00 -1.770178806e+00 3.64 -1.731928709e+00 -1.731928709e+00 3.66 -1.693632333e+00 -1.693632333e+00 3.68 -1.655339744e+00 -1.655339744e+00 3.70 -1.617103881e+00 -1.617103881e+00 3.72 -1.578980471e+00 -1.578980471e+00 3.74 -1.541027573e+00 -1.541027573e+00 3.76 -1.503304788e+00 -1.503304788e+00 3.78 -1.465872253e+00 -1.465872253e+00 3.80 -1.428789535e+00 -1.428789535e+00 3.82 -1.392114542e+00 -1.392114542e+00 3.84 -1.355902509e+00 -1.355902509e+00 3.86 -1.320205038e+00 -1.320205038e+00 3.88 -1.285069179e+00 -1.285069179e+00 3.90 -1.250536494e+00 -1.250536494e+00 3.92 -1.216641393e+00 -1.216641393e+00 3.94 -1.183413475e+00 -1.183413475e+00 3.96 -1.150871956e+00 -1.150871956e+00 3.98 -1.119028909e+00 -1.119028909e+00 4.00 -1.087888481e+00 -1.087888481e+00 4.02 -1.057447451e+00 -1.057447451e+00 4.04 -1.027696110e+00 -1.027696110e+00 4.06 -9.986193628e-01 -9.986193628e-01 4.08 -9.701979118e-01 -9.701979118e-01 4.10 -9.424074000e-01 -9.424074000e-01 4.12 -9.152280079e-01 -9.152280079e-01 4.14 -8.886320340e-01 -8.886320340e-01 4.16 -8.625941402e-01 -8.625941402e-01 4.18 -8.370896041e-01 -8.370896041e-01 4.20 -8.120949770e-01 -8.120949770e-01 4.22 -7.875886784e-01 -7.875886784e-01 4.24 -7.635515421e-01 -7.635515421e-01 4.26 -7.399673156e-01 -7.399673156e-01 4.28 -7.168231087e-01 -7.168231087e-01 4.30 -6.941097790e-01 -6.941097790e-01 4.32 -6.718222355e-01 -6.718222355e-01 4.34 -6.499596427e-01 -6.499596427e-01 4.36 -6.285254980e-01 -6.285254980e-01 4.38 -6.075275560e-01 -6.075275560e-01 4.40 -5.869775634e-01 -5.869775634e-01 4.42 -5.668907710e-01 -5.668907710e-01 4.44 -5.472851904e-01 -5.472851904e-01 4.46 -5.281805876e-01 -5.281805876e-01 4.48 -5.095972355e-01 -5.095972355e-01 4.50 -4.915544937e-01 -4.915544937e-01 4.52 -4.740693255e-01 -4.740693255e-01 4.54 -4.571548951e-01 -4.571548951e-01 4.56 -4.408193930e-01 -4.408193930e-01 4.58 -4.250652163e-01 -4.250652163e-01 4.60 -4.098885832e-01 -4.098885832e-01 4.62 -3.952796008e-01 -3.952796008e-01 4.64 -3.812227449e-01 -3.812227449e-01 4.66 -3.676976663e-01 -3.676976663e-01 4.68 -3.546802116e-01 -3.546802116e-01 4.70 -3.421435440e-01 -3.421435440e-01 4.72 -3.300592657e-01 -3.300592657e-01 4.74 -3.183984648e-01 -3.183984648e-01 4.76 -3.071326399e-01 -3.071326399e-01 4.78 -2.962344776e-01 -2.962344776e-01 4.80 -2.856769589e-01 -2.856769589e-01 4.82 -2.754401601e-01 -2.754401601e-01 4.84 -2.655017185e-01 -2.655017185e-01 4.86 -2.558439420e-01 -2.558439420e-01 4.88 -2.464521108e-01 -2.464521108e-01 4.90 -2.373144788e-01 -2.373144788e-01 4.92 -2.284221698e-01 -2.284221698e-01 4.94 -2.197689710e-01 -2.197689710e-01 4.96 -2.113510325e-01 -2.113510325e-01 4.98 -2.031664831e-01 -2.031664831e-01 5.00 -1.952149820e-01 -1.952149820e-01 5.02 -1.874972351e-01 -1.874972351e-01 5.04 -1.800145073e-01 -1.800145073e-01 5.06 -1.727681678e-01 -1.727681678e-01 5.08 -1.657593024e-01 -1.657593024e-01 5.10 -1.589884115e-01 -1.589884115e-01 5.12 -1.524552232e-01 -1.524552232e-01 5.14 -1.461586121e-01 -1.461586121e-01 5.16 -1.400966148e-01 -1.400966148e-01 5.18 -1.342665205e-01 -1.342665205e-01 5.20 -1.286650054e-01 -1.286650054e-01 5.22 -1.232882773e-01 -1.232882773e-01 5.24 -1.181322106e-01 -1.181322106e-01 5.26 -1.131924444e-01 -1.131924444e-01 5.28 -1.084644334e-01 -1.084644334e-01 5.30 -1.039434491e-01 -1.039434491e-01 5.32 -9.962433463e-02 -9.962433463e-02 5.34 -9.550111466e-02 -9.550111466e-02 5.36 -9.156857141e-02 -9.156857141e-02 5.38 -8.782102382e-02 -8.782102382e-02 5.40 -8.425215043e-02 -8.425215043e-02 5.42 -8.085499754e-02 -8.085499754e-02 5.44 -7.762201937e-02 -7.762201937e-02 5.46 -7.454514919e-02 -7.454514919e-02 5.48 -7.161589695e-02 -7.161589695e-02 5.50 -6.882546517e-02 -6.882546517e-02 5.52 -6.616487441e-02 -6.616487441e-02 5.54 -6.362508924e-02 -6.362508924e-02 5.56 -6.119713753e-02 -6.119713753e-02 5.58 -5.887221735e-02 -5.887221735e-02 5.60 -5.664178809e-02 -5.664178809e-02 5.62 -5.449764474e-02 -5.449764474e-02 5.64 -5.243197530e-02 -5.243197530e-02 5.66 -5.043740330e-02 -5.043740330e-02 5.68 -4.850701765e-02 -4.850701765e-02 5.70 -4.663439274e-02 -4.663439274e-02 5.72 -4.481360176e-02 -4.481360176e-02 5.74 -4.303922595e-02 -4.303922595e-02 5.76 -4.130636208e-02 -4.130636208e-02 5.78 -3.961063015e-02 -3.961063015e-02 5.80 -3.794818248e-02 -3.794818248e-02 5.82 -3.631571490e-02 -3.631571490e-02 5.84 -3.471047983e-02 -3.471047983e-02 5.86 -3.313030083e-02 -3.313030083e-02 5.88 -3.157358684e-02 -3.157358684e-02 5.90 -3.003934449e-02 -3.003934449e-02 5.92 -2.852718567e-02 -2.852718567e-02 5.94 -2.703732776e-02 -2.703732776e-02 5.96 -2.557058336e-02 -2.557058336e-02 5.98 -2.412833594e-02 -2.412833594e-02 6.00 -2.271250035e-02 -2.271250035e-02