# 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 = AgMg2Zr # 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 3.908561909e+02 3.908561909e+02 1.30 3.628467384e+02 3.628467384e+02 1.32 3.369036496e+02 3.369036496e+02 1.34 3.128625678e+02 3.128625678e+02 1.36 2.905738791e+02 2.905738791e+02 1.38 2.699016190e+02 2.699016190e+02 1.40 2.507219707e+02 2.507219707e+02 1.42 2.329212004e+02 2.329212004e+02 1.44 2.163939038e+02 2.163939038e+02 1.46 2.010424334e+02 2.010424334e+02 1.48 1.867771768e+02 1.867771768e+02 1.50 1.735165385e+02 1.735165385e+02 1.52 1.611861631e+02 1.611861631e+02 1.54 1.497178169e+02 1.497178169e+02 1.56 1.390485729e+02 1.390485729e+02 1.58 1.291205194e+02 1.291205194e+02 1.60 1.198805180e+02 1.198805180e+02 1.62 1.112796827e+02 1.112796827e+02 1.64 1.032726893e+02 1.032726893e+02 1.66 9.581723349e+01 9.581723349e+01 1.68 8.887378032e+01 8.887378032e+01 1.70 8.240561745e+01 8.240561745e+01 1.72 7.637927704e+01 7.637927704e+01 1.74 7.076412133e+01 7.076412133e+01 1.76 6.553167549e+01 6.553167549e+01 1.78 6.065656109e+01 6.065656109e+01 1.80 5.611483742e+01 5.611483742e+01 1.82 5.188362834e+01 5.188362834e+01 1.84 4.794165826e+01 4.794165826e+01 1.86 4.426900077e+01 4.426900077e+01 1.88 4.084709747e+01 4.084709747e+01 1.90 3.765881756e+01 3.765881756e+01 1.92 3.468840622e+01 3.468840622e+01 1.94 3.192134478e+01 3.192134478e+01 1.96 2.934412578e+01 2.934412578e+01 1.98 2.694411320e+01 2.694411320e+01 2.00 2.470947874e+01 2.470947874e+01 2.02 2.262917182e+01 2.262917182e+01 2.04 2.069288746e+01 2.069288746e+01 2.06 1.889100878e+01 1.889100878e+01 2.08 1.721452664e+01 1.721452664e+01 2.10 1.565496725e+01 1.565496725e+01 2.12 1.420436243e+01 1.420436243e+01 2.14 1.285524645e+01 1.285524645e+01 2.16 1.160068376e+01 1.160068376e+01 2.18 1.043426898e+01 1.043426898e+01 2.20 9.350100420e+00 9.350100420e+00 2.22 8.342712640e+00 8.342712640e+00 2.24 7.407019118e+00 7.407019118e+00 2.26 6.538278689e+00 6.538278689e+00 2.28 5.732075346e+00 5.732075346e+00 2.30 4.984331913e+00 4.984331913e+00 2.32 4.291270015e+00 4.291270015e+00 2.34 3.649413673e+00 3.649413673e+00 2.36 3.055530155e+00 3.055530155e+00 2.38 2.506594999e+00 2.506594999e+00 2.40 1.999754912e+00 1.999754912e+00 2.42 1.532290800e+00 1.532290800e+00 2.44 1.101535869e+00 1.101535869e+00 2.46 7.050190592e-01 7.050190592e-01 2.48 3.404098077e-01 3.404098077e-01 2.50 5.460572392e-03 5.460572392e-03 2.52 -3.019746513e-01 -3.019746513e-01 2.54 -5.839207215e-01 -5.839207215e-01 2.56 -8.422655910e-01 -8.422655910e-01 2.58 -1.078737875e+00 -1.078737875e+00 2.60 -1.294789972e+00 -1.294789972e+00 2.62 -1.491702239e+00 -1.491702239e+00 2.64 -1.670690590e+00 -1.670690590e+00 2.66 -1.832892672e+00 -1.832892672e+00 2.68 -1.979384933e+00 -1.979384933e+00 2.70 -2.111182941e+00 -2.111182941e+00 2.72 -2.229246285e+00 -2.229246285e+00 2.74 -2.334483529e+00 -2.334483529e+00 2.76 -2.427755849e+00 -2.427755849e+00 2.78 -2.509876263e+00 -2.509876263e+00 2.80 -2.581619312e+00 -2.581619312e+00 2.82 -2.643704825e+00 -2.643704825e+00 2.84 -2.696809779e+00 -2.696809779e+00 2.86 -2.741567335e+00 -2.741567335e+00 2.88 -2.778570324e+00 -2.778570324e+00 2.90 -2.808375399e+00 -2.808375399e+00 2.92 -2.831507187e+00 -2.831507187e+00 2.94 -2.848461988e+00 -2.848461988e+00 2.96 -2.859710811e+00 -2.859710811e+00 2.98 -2.865704785e+00 -2.865704785e+00 3.00 -2.866958365e+00 -2.866958365e+00 3.02 -2.863843505e+00 -2.863843505e+00 3.04 -2.856657428e+00 -2.856657428e+00 3.06 -2.845701612e+00 -2.845701612e+00 3.08 -2.831264880e+00 -2.831264880e+00 3.10 -2.813631419e+00 -2.813631419e+00 3.12 -2.793073617e+00 -2.793073617e+00 3.14 -2.769860209e+00 -2.769860209e+00 3.16 -2.744240928e+00 -2.744240928e+00 3.18 -2.716462001e+00 -2.716462001e+00 3.20 -2.686757774e+00 -2.686757774e+00 3.22 -2.655349616e+00 -2.655349616e+00 3.24 -2.622448057e+00 -2.622448057e+00 3.26 -2.588255105e+00 -2.588255105e+00 3.28 -2.552965961e+00 -2.552965961e+00 3.30 -2.516769158e+00 -2.516769158e+00 3.32 -2.479844641e+00 -2.479844641e+00 3.34 -2.442360049e+00 -2.442360049e+00 3.36 -2.404466327e+00 -2.404466327e+00 3.38 -2.366294159e+00 -2.366294159e+00 3.40 -2.327951238e+00 -2.327951238e+00 3.42 -2.289528094e+00 -2.289528094e+00 3.44 -2.251093029e+00 -2.251093029e+00 3.46 -2.212701653e+00 -2.212701653e+00 3.48 -2.174399326e+00 -2.174399326e+00 3.50 -2.136224484e+00 -2.136224484e+00 3.52 -2.098220714e+00 -2.098220714e+00 3.54 -2.060439731e+00 -2.060439731e+00 3.56 -2.022887735e+00 -2.022887735e+00 3.58 -1.985570299e+00 -1.985570299e+00 3.60 -1.948494704e+00 -1.948494704e+00 3.62 -1.911669073e+00 -1.911669073e+00 3.64 -1.875101732e+00 -1.875101732e+00 3.66 -1.838800893e+00 -1.838800893e+00 3.68 -1.802774685e+00 -1.802774685e+00 3.70 -1.767031561e+00 -1.767031561e+00 3.72 -1.731574784e+00 -1.731574784e+00 3.74 -1.696382055e+00 -1.696382055e+00 3.76 -1.661431850e+00 -1.661431850e+00 3.78 -1.626714885e+00 -1.626714885e+00 3.80 -1.592234281e+00 -1.592234281e+00 3.82 -1.558005459e+00 -1.558005459e+00 3.84 -1.524055294e+00 -1.524055294e+00 3.86 -1.490420247e+00 -1.490420247e+00 3.88 -1.457143436e+00 -1.457143436e+00 3.90 -1.424270844e+00 -1.424270844e+00 3.92 -1.391845624e+00 -1.391845624e+00 3.94 -1.359910442e+00 -1.359910442e+00 3.96 -1.328494455e+00 -1.328494455e+00 3.98 -1.297618522e+00 -1.297618522e+00 4.00 -1.267292964e+00 -1.267292964e+00 4.02 -1.237518459e+00 -1.237518459e+00 4.04 -1.208287815e+00 -1.208287815e+00 4.06 -1.179588199e+00 -1.179588199e+00 4.08 -1.151403411e+00 -1.151403411e+00 4.10 -1.123712235e+00 -1.123712235e+00 4.12 -1.096505601e+00 -1.096505601e+00 4.14 -1.069763456e+00 -1.069763456e+00 4.16 -1.043472769e+00 -1.043472769e+00 4.18 -1.017623529e+00 -1.017623529e+00 4.20 -9.922090219e-01 -9.922090219e-01 4.22 -9.672258978e-01 -9.672258978e-01 4.24 -9.426740541e-01 -9.426740541e-01 4.26 -9.185563608e-01 -9.185563608e-01 4.28 -8.948782293e-01 -8.948782293e-01 4.30 -8.716470358e-01 -8.716470358e-01 4.32 -8.488714169e-01 -8.488714169e-01 4.34 -8.265604728e-01 -8.265604728e-01 4.36 -8.047229296e-01 -8.047229296e-01 4.38 -7.833663260e-01 -7.833663260e-01 4.40 -7.624962957e-01 -7.624962957e-01 4.42 -7.421160041e-01 -7.421160041e-01 4.44 -7.222257839e-01 -7.222257839e-01 4.46 -7.028229842e-01 -7.028229842e-01 4.48 -6.839020227e-01 -6.839020227e-01 4.50 -6.654546086e-01 -6.654546086e-01 4.52 -6.474700880e-01 -6.474700880e-01 4.54 -6.299358616e-01 -6.299358616e-01 4.56 -6.128378291e-01 -6.128378291e-01 4.58 -5.961608218e-01 -5.961608218e-01 4.60 -5.798890007e-01 -5.798890007e-01 4.62 -5.640062077e-01 -5.640062077e-01 4.64 -5.484962670e-01 -5.484962670e-01 4.66 -5.333432414e-01 -5.333432414e-01 4.68 -5.185316513e-01 -5.185316513e-01 4.70 -5.040466658e-01 -5.040466658e-01 4.72 -4.898742750e-01 -4.898742750e-01 4.74 -4.760014489e-01 -4.760014489e-01 4.76 -4.624162880e-01 -4.624162880e-01 4.78 -4.491081663e-01 -4.491081663e-01 4.80 -4.360644007e-01 -4.360644007e-01 4.82 -4.232848164e-01 -4.232848164e-01 4.84 -4.107591894e-01 -4.107591894e-01 4.86 -3.984831612e-01 -3.984831612e-01 4.88 -3.864540852e-01 -3.864540852e-01 4.90 -3.746709961e-01 -3.746709961e-01 4.92 -3.631345118e-01 -3.631345118e-01 4.94 -3.518466606e-01 -3.518466606e-01 4.96 -3.408106285e-01 -3.408106285e-01 4.98 -3.300304312e-01 -3.300304312e-01 5.00 -3.195105225e-01 -3.195105225e-01 5.02 -3.092553611e-01 -3.092553611e-01 5.04 -2.992689629e-01 -2.992689629e-01 5.06 -2.895544739e-01 -2.895544739e-01 5.08 -2.801137954e-01 -2.801137954e-01 5.10 -2.709472930e-01 -2.709472930e-01 5.12 -2.620536091e-01 -2.620536091e-01 5.14 -2.534295927e-01 -2.534295927e-01 5.16 -2.450703452e-01 -2.450703452e-01 5.18 -2.369693733e-01 -2.369693733e-01 5.20 -2.291188318e-01 -2.291188318e-01 5.22 -2.215098335e-01 -2.215098335e-01 5.24 -2.141328037e-01 -2.141328037e-01 5.26 -2.069778551e-01 -2.069778551e-01 5.28 -2.000351623e-01 -2.000351623e-01 5.30 -1.932953185e-01 -1.932953185e-01 5.32 -1.867496556e-01 -1.867496556e-01 5.34 -1.803905163e-01 -1.803905163e-01 5.36 -1.742114622e-01 -1.742114622e-01 5.38 -1.682074085e-01 -1.682074085e-01 5.40 -1.623746729e-01 -1.623746729e-01 5.42 -1.567109353e-01 -1.567109353e-01 5.44 -1.512151031e-01 -1.512151031e-01 5.46 -1.458870910e-01 -1.458870910e-01 5.48 -1.407275269e-01 -1.407275269e-01 5.50 -1.357374052e-01 -1.357374052e-01 5.52 -1.309177183e-01 -1.309177183e-01 5.54 -1.262690948e-01 -1.262690948e-01 5.56 -1.217914788e-01 -1.217914788e-01 5.58 -1.174838742e-01 -1.174838742e-01 5.60 -1.133441737e-01 -1.133441737e-01 5.62 -1.093690792e-01 -1.093690792e-01 5.64 -1.055541101e-01 -1.055541101e-01 5.66 -1.018936876e-01 -1.018936876e-01 5.68 -9.838127706e-02 -9.838127706e-02 5.70 -9.500956727e-02 -9.500956727e-02 5.72 -9.177066600e-02 -9.177066600e-02 5.74 -8.865629409e-02 -8.865629409e-02 5.76 -8.565794792e-02 -8.565794792e-02 5.78 -8.276708353e-02 -8.276708353e-02 5.80 -7.997524631e-02 -7.997524631e-02 5.82 -7.727415867e-02 -7.727415867e-02 5.84 -7.465579390e-02 -7.465579390e-02 5.86 -7.211239481e-02 -7.211239481e-02 5.88 -6.963654788e-02 -6.963654788e-02 5.90 -6.722124418e-02 -6.722124418e-02 5.92 -6.485984063e-02 -6.485984063e-02 5.94 -6.254607310e-02 -6.254607310e-02 5.96 -6.027407076e-02 -6.027407076e-02 5.98 -5.803837498e-02 -5.803837498e-02 6.00 -5.583396559e-02 -5.583396559e-02