# 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 = CuNi2Pb # 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 1.749387536e+02 1.749387536e+02 1.30 1.619370419e+02 1.619370419e+02 1.32 1.499078285e+02 1.499078285e+02 1.34 1.387716217e+02 1.387716217e+02 1.36 1.284560617e+02 1.284560617e+02 1.38 1.188957347e+02 1.188957347e+02 1.40 1.100315831e+02 1.100315831e+02 1.42 1.018103374e+02 1.018103374e+02 1.44 9.418365699e+01 9.418365699e+01 1.46 8.710695913e+01 8.710695913e+01 1.48 8.053854354e+01 8.053854354e+01 1.50 7.443940643e+01 7.443940643e+01 1.52 6.877349252e+01 6.877349252e+01 1.54 6.350776471e+01 6.350776471e+01 1.56 5.861181925e+01 5.861181925e+01 1.58 5.405738553e+01 5.405738553e+01 1.60 4.981819181e+01 4.981819181e+01 1.62 4.587110701e+01 4.587110701e+01 1.64 4.220135375e+01 4.220135375e+01 1.66 3.879106024e+01 3.879106024e+01 1.68 3.562306652e+01 3.562306652e+01 1.70 3.268169752e+01 3.268169752e+01 1.72 2.995208300e+01 2.995208300e+01 1.74 2.741972446e+01 2.741972446e+01 1.76 2.507039401e+01 2.507039401e+01 1.78 2.289035503e+01 2.289035503e+01 1.80 2.086673913e+01 2.086673913e+01 1.82 1.898786115e+01 1.898786115e+01 1.84 1.724330408e+01 1.724330408e+01 1.86 1.562377556e+01 1.562377556e+01 1.88 1.412084378e+01 1.412084378e+01 1.90 1.272666498e+01 1.272666498e+01 1.92 1.143380041e+01 1.143380041e+01 1.94 1.023515459e+01 1.023515459e+01 1.96 9.124001452e+00 9.124001452e+00 1.98 8.094054381e+00 8.094054381e+00 2.00 7.139516002e+00 7.139516002e+00 2.02 6.255082428e+00 6.255082428e+00 2.04 5.435907459e+00 5.435907459e+00 2.06 4.677553713e+00 4.677553713e+00 2.08 3.975948987e+00 3.975948987e+00 2.10 3.327355568e+00 3.327355568e+00 2.12 2.728343112e+00 2.728343112e+00 2.14 2.175756344e+00 2.175756344e+00 2.16 1.666676842e+00 1.666676842e+00 2.18 1.198378110e+00 1.198378110e+00 2.20 7.682768650e-01 7.682768650e-01 2.22 3.738899951e-01 3.738899951e-01 2.24 1.280197955e-02 1.280197955e-02 2.26 -3.173521571e-01 -3.173521571e-01 2.28 -6.188938532e-01 -6.188938532e-01 2.30 -8.940919542e-01 -8.940919542e-01 2.32 -1.145157082e+00 -1.145157082e+00 2.34 -1.374213068e+00 -1.374213068e+00 2.36 -1.583263401e+00 -1.583263401e+00 2.38 -1.774143725e+00 -1.774143725e+00 2.40 -1.948480728e+00 -1.948480728e+00 2.42 -2.107672510e+00 -2.107672510e+00 2.44 -2.252896400e+00 -2.252896400e+00 2.46 -2.385135641e+00 -2.385135641e+00 2.48 -2.505225987e+00 -2.505225987e+00 2.50 -2.613895291e+00 -2.613895291e+00 2.52 -2.711795451e+00 -2.711795451e+00 2.54 -2.799525981e+00 -2.799525981e+00 2.56 -2.877650454e+00 -2.877650454e+00 2.58 -2.946838598e+00 -2.946838598e+00 2.60 -3.007553293e+00 -3.007553293e+00 2.62 -3.059813696e+00 -3.059813696e+00 2.64 -3.103726452e+00 -3.103726452e+00 2.66 -3.139493255e+00 -3.139493255e+00 2.68 -3.167408177e+00 -3.167408177e+00 2.70 -3.187851695e+00 -3.187851695e+00 2.72 -3.201280965e+00 -3.201280965e+00 2.74 -3.208220097e+00 -3.208220097e+00 2.76 -3.209249416e+00 -3.209249416e+00 2.78 -3.204948726e+00 -3.204948726e+00 2.80 -3.195861599e+00 -3.195861599e+00 2.82 -3.182471164e+00 -3.182471164e+00 2.84 -3.165190535e+00 -3.165190535e+00 2.86 -3.144364071e+00 -3.144364071e+00 2.88 -3.120278142e+00 -3.120278142e+00 2.90 -3.093176302e+00 -3.093176302e+00 2.92 -3.063274502e+00 -3.063274502e+00 2.94 -3.030773511e+00 -3.030773511e+00 2.96 -2.995867472e+00 -2.995867472e+00 2.98 -2.958748752e+00 -2.958748752e+00 3.00 -2.919635712e+00 -2.919635712e+00 3.02 -2.878725069e+00 -2.878725069e+00 3.04 -2.836171411e+00 -2.836171411e+00 3.06 -2.792138935e+00 -2.792138935e+00 3.08 -2.746794347e+00 -2.746794347e+00 3.10 -2.700307689e+00 -2.700307689e+00 3.12 -2.652848810e+00 -2.652848810e+00 3.14 -2.604588525e+00 -2.604588525e+00 3.16 -2.555689811e+00 -2.555689811e+00 3.18 -2.506302232e+00 -2.506302232e+00 3.20 -2.456567385e+00 -2.456567385e+00 3.22 -2.406618886e+00 -2.406618886e+00 3.24 -2.356579183e+00 -2.356579183e+00 3.26 -2.306557141e+00 -2.306557141e+00 3.28 -2.256646735e+00 -2.256646735e+00 3.30 -2.206927017e+00 -2.206927017e+00 3.32 -2.157463174e+00 -2.157463174e+00 3.34 -2.108308309e+00 -2.108308309e+00 3.36 -2.059505454e+00 -2.059505454e+00 3.38 -2.011089424e+00 -2.011089424e+00 3.40 -1.963088074e+00 -1.963088074e+00 3.42 -1.915524047e+00 -1.915524047e+00 3.44 -1.868414048e+00 -1.868414048e+00 3.46 -1.821769991e+00 -1.821769991e+00 3.48 -1.775598926e+00 -1.775598926e+00 3.50 -1.729903278e+00 -1.729903278e+00 3.52 -1.684681254e+00 -1.684681254e+00 3.54 -1.639927505e+00 -1.639927505e+00 3.56 -1.595634027e+00 -1.595634027e+00 3.58 -1.551791280e+00 -1.551791280e+00 3.60 -1.508389469e+00 -1.508389469e+00 3.62 -1.465419936e+00 -1.465419936e+00 3.64 -1.422876627e+00 -1.422876627e+00 3.66 -1.380757588e+00 -1.380757588e+00 3.68 -1.339066491e+00 -1.339066491e+00 3.70 -1.297814144e+00 -1.297814144e+00 3.72 -1.257019941e+00 -1.257019941e+00 3.74 -1.216713147e+00 -1.216713147e+00 3.76 -1.176933883e+00 -1.176933883e+00 3.78 -1.137733606e+00 -1.137733606e+00 3.80 -1.099174836e+00 -1.099174836e+00 3.82 -1.061329875e+00 -1.061329875e+00 3.84 -1.024278344e+00 -1.024278344e+00 3.86 -9.881034765e-01 -9.881034765e-01 3.88 -9.528873525e-01 -9.528873525e-01 3.90 -9.187055002e-01 -9.187055002e-01 3.92 -8.856211542e-01 -8.856211542e-01 3.94 -8.536820102e-01 -8.536820102e-01 3.96 -8.229146325e-01 -8.229146325e-01 3.98 -7.933244722e-01 -7.933244722e-01 4.00 -7.648957041e-01 -7.648957041e-01 4.02 -7.375930966e-01 -7.375930966e-01 4.04 -7.113650489e-01 -7.113650489e-01 4.06 -6.861472600e-01 -6.861472600e-01 4.08 -6.618665331e-01 -6.618665331e-01 4.10 -6.384432617e-01 -6.384432617e-01 4.12 -6.157989755e-01 -6.157989755e-01 4.14 -5.938518194e-01 -5.938518194e-01 4.16 -5.725234673e-01 -5.725234673e-01 4.18 -5.517393550e-01 -5.517393550e-01 4.20 -5.314299184e-01 -5.314299184e-01 4.22 -5.115316698e-01 -5.115316698e-01 4.24 -4.919882280e-01 -4.919882280e-01 4.26 -4.727513864e-01 -4.727513864e-01 4.28 -4.537822570e-01 -4.537822570e-01 4.30 -4.350524759e-01 -4.350524759e-01 4.32 -4.165453997e-01 -4.165453997e-01 4.34 -3.982571695e-01 -3.982571695e-01 4.36 -3.801974729e-01 -3.801974729e-01 4.38 -3.623898065e-01 -3.623898065e-01 4.40 -3.448710439e-01 -3.448710439e-01 4.42 -3.276901520e-01 -3.276901520e-01 4.44 -3.109059769e-01 -3.109059769e-01 4.46 -2.945841392e-01 -2.945841392e-01 4.48 -2.787932113e-01 -2.787932113e-01 4.50 -2.636004797e-01 -2.636004797e-01 4.52 -2.490676886e-01 -2.490676886e-01 4.54 -2.352471934e-01 -2.352471934e-01 4.56 -2.221789103e-01 -2.221789103e-01 4.58 -2.098883398e-01 -2.098883398e-01 4.60 -1.983857835e-01 -1.983857835e-01 4.62 -1.876667219e-01 -1.876667219e-01 4.64 -1.777131802e-01 -1.777131802e-01 4.66 -1.684957996e-01 -1.684957996e-01 4.68 -1.599763047e-01 -1.599763047e-01 4.70 -1.521100957e-01 -1.521100957e-01 4.72 -1.448487022e-01 -1.448487022e-01 4.74 -1.381412649e-01 -1.381412649e-01 4.76 -1.319381085e-01 -1.319381085e-01 4.78 -1.261913503e-01 -1.261913503e-01 4.80 -1.208545498e-01 -1.208545498e-01 4.82 -1.158868093e-01 -1.158868093e-01 4.84 -1.112480372e-01 -1.112480372e-01 4.86 -1.069027389e-01 -1.069027389e-01 4.88 -1.028190559e-01 -1.028190559e-01 4.90 -9.896862335e-02 -9.896862335e-02 4.92 -9.532634787e-02 -9.532634787e-02 4.94 -9.187014117e-02 -9.187014117e-02 4.96 -8.858063857e-02 -8.858063857e-02 4.98 -8.544092028e-02 -8.544092028e-02 5.00 -8.243624821e-02 -8.243624821e-02 5.02 -7.955382538e-02 -7.955382538e-02 5.04 -7.678258140e-02 -7.678258140e-02 5.06 -7.411298480e-02 -7.411298480e-02 5.08 -7.153688052e-02 -7.153688052e-02 5.10 -6.904734970e-02 -6.904734970e-02 5.12 -6.663858819e-02 -6.663858819e-02 5.14 -6.430579855e-02 -6.430579855e-02 5.16 -6.204509102e-02 -6.204509102e-02 5.18 -5.985338834e-02 -5.985338834e-02 5.20 -5.772833019e-02 -5.772833019e-02 5.22 -5.566817378e-02 -5.566817378e-02 5.24 -5.367168862e-02 -5.367168862e-02 5.26 -5.173803942e-02 -5.173803942e-02 5.28 -4.986661180e-02 -4.986661180e-02 5.30 -4.805703536e-02 -4.805703536e-02 5.32 -4.630901587e-02 -4.630901587e-02 5.34 -4.462219909e-02 -4.462219909e-02 5.36 -4.299607843e-02 -4.299607843e-02 5.38 -4.142992114e-02 -4.142992114e-02 5.40 -3.992271647e-02 -3.992271647e-02 5.42 -3.847314687e-02 -3.847314687e-02 5.44 -3.707958157e-02 -3.707958157e-02 5.46 -3.574009030e-02 -3.574009030e-02 5.48 -3.445247314e-02 -3.445247314e-02 5.50 -3.321430210e-02 -3.321430210e-02 5.52 -3.202296988e-02 -3.202296988e-02 5.54 -3.087574139e-02 -3.087574139e-02 5.56 -2.976980449e-02 -2.976980449e-02 5.58 -2.870231742e-02 -2.870231742e-02 5.60 -2.767045101e-02 -2.767045101e-02 5.62 -2.667142506e-02 -2.667142506e-02 5.64 -2.570253843e-02 -2.570253843e-02 5.66 -2.476119385e-02 -2.476119385e-02 5.68 -2.384491787e-02 -2.384491787e-02 5.70 -2.295137713e-02 -2.295137713e-02 5.72 -2.207839197e-02 -2.207839197e-02 5.74 -2.122394840e-02 -2.122394840e-02 5.76 -2.038620946e-02 -2.038620946e-02 5.78 -1.956352650e-02 -1.956352650e-02 5.80 -1.875445096e-02 -1.875445096e-02 5.82 -1.795774676e-02 -1.795774676e-02 5.84 -1.717240322e-02 -1.717240322e-02 5.86 -1.639764820e-02 -1.639764820e-02 5.88 -1.563296045e-02 -1.563296045e-02 5.90 -1.487808060e-02 -1.487808060e-02 5.92 -1.413301915e-02 -1.413301915e-02 5.94 -1.339804643e-02 -1.339804643e-02 5.96 -1.267364063e-02 -1.267364063e-02 5.98 -1.196062722e-02 -1.196062722e-02 6.00 -1.126009228e-02 -1.126009228e-02