# 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 = CuMoPt2 # 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 3.092350944e+02 3.092350944e+02 1.30 2.879296058e+02 2.879296058e+02 1.32 2.680260624e+02 2.680260624e+02 1.34 2.494297488e+02 2.494297488e+02 1.36 2.320592494e+02 2.320592494e+02 1.38 2.158409040e+02 2.158409040e+02 1.40 2.007050513e+02 2.007050513e+02 1.42 1.865833778e+02 1.865833778e+02 1.44 1.734059908e+02 1.734059908e+02 1.46 1.611012043e+02 1.611012043e+02 1.48 1.495998201e+02 1.495998201e+02 1.50 1.388394133e+02 1.388394133e+02 1.52 1.287642100e+02 1.287642100e+02 1.54 1.193219882e+02 1.193219882e+02 1.56 1.104619092e+02 1.104619092e+02 1.58 1.021345477e+02 1.021345477e+02 1.60 9.429285453e+01 9.429285453e+01 1.62 8.689298469e+01 8.689298469e+01 1.64 7.989506735e+01 7.989506735e+01 1.66 7.326429222e+01 7.326429222e+01 1.68 6.697217806e+01 6.697217806e+01 1.70 6.099742534e+01 6.099742534e+01 1.72 5.532570069e+01 5.532570069e+01 1.74 4.994894754e+01 4.994894754e+01 1.76 4.486326424e+01 4.486326424e+01 1.78 4.015026386e+01 4.015026386e+01 1.80 3.584834528e+01 3.584834528e+01 1.82 3.192990936e+01 3.192990936e+01 1.84 2.836727226e+01 2.836727226e+01 1.86 2.513345869e+01 2.513345869e+01 1.88 2.220244120e+01 2.220244120e+01 1.90 1.954884113e+01 1.954884113e+01 1.92 1.714749191e+01 1.714749191e+01 1.94 1.497341970e+01 1.497341970e+01 1.96 1.300247705e+01 1.300247705e+01 1.98 1.121232678e+01 1.121232678e+01 2.00 9.583233680e+00 9.583233680e+00 2.02 8.098333708e+00 8.098333708e+00 2.04 6.743413092e+00 6.743413092e+00 2.06 5.506429316e+00 5.506429316e+00 2.08 4.376993788e+00 4.376993788e+00 2.10 3.345936096e+00 3.345936096e+00 2.12 2.404988537e+00 2.404988537e+00 2.14 1.546591993e+00 1.546591993e+00 2.16 7.638076280e-01 7.638076280e-01 2.18 5.030313005e-02 5.030313005e-02 2.20 -5.996293357e-01 -5.996293357e-01 2.22 -1.191062321e+00 -1.191062321e+00 2.24 -1.728450958e+00 -1.728450958e+00 2.26 -2.215683191e+00 -2.215683191e+00 2.28 -2.656156377e+00 -2.656156377e+00 2.30 -3.052870670e+00 -3.052870670e+00 2.32 -3.408527476e+00 -3.408527476e+00 2.34 -3.725620194e+00 -3.725620194e+00 2.36 -4.006507549e+00 -4.006507549e+00 2.38 -4.253466862e+00 -4.253466862e+00 2.40 -4.468731975e+00 -4.468731975e+00 2.42 -4.654522562e+00 -4.654522562e+00 2.44 -4.813068239e+00 -4.813068239e+00 2.46 -4.946626175e+00 -4.946626175e+00 2.48 -5.057488408e+00 -5.057488408e+00 2.50 -5.147974020e+00 -5.147974020e+00 2.52 -5.220407593e+00 -5.220407593e+00 2.54 -5.278626069e+00 -5.278626069e+00 2.56 -5.325506349e+00 -5.325506349e+00 2.58 -5.362410439e+00 -5.362410439e+00 2.60 -5.390493600e+00 -5.390493600e+00 2.62 -5.410648360e+00 -5.410648360e+00 2.64 -5.423504187e+00 -5.423504187e+00 2.66 -5.429472109e+00 -5.429472109e+00 2.68 -5.428811167e+00 -5.428811167e+00 2.70 -5.421689178e+00 -5.421689178e+00 2.72 -5.408155392e+00 -5.408155392e+00 2.74 -5.388204604e+00 -5.388204604e+00 2.76 -5.361867501e+00 -5.361867501e+00 2.78 -5.329205733e+00 -5.329205733e+00 2.80 -5.290304934e+00 -5.290304934e+00 2.82 -5.245413310e+00 -5.245413310e+00 2.84 -5.194731786e+00 -5.194731786e+00 2.86 -5.138200612e+00 -5.138200612e+00 2.88 -5.075858366e+00 -5.075858366e+00 2.90 -5.007862058e+00 -5.007862058e+00 2.92 -4.934501515e+00 -4.934501515e+00 2.94 -4.856205301e+00 -4.856205301e+00 2.96 -4.773532269e+00 -4.773532269e+00 2.98 -4.687163330e+00 -4.687163330e+00 3.00 -4.597856770e+00 -4.597856770e+00 3.02 -4.506362923e+00 -4.506362923e+00 3.04 -4.413365574e+00 -4.413365574e+00 3.06 -4.319436564e+00 -4.319436564e+00 3.08 -4.225009115e+00 -4.225009115e+00 3.10 -4.130372058e+00 -4.130372058e+00 3.12 -4.035681742e+00 -4.035681742e+00 3.14 -3.940985498e+00 -3.940985498e+00 3.16 -3.846250080e+00 -3.846250080e+00 3.18 -3.751390095e+00 -3.751390095e+00 3.20 -3.656293400e+00 -3.656293400e+00 3.22 -3.560842448e+00 -3.560842448e+00 3.24 -3.464931681e+00 -3.464931681e+00 3.26 -3.368481617e+00 -3.368481617e+00 3.28 -3.271450263e+00 -3.271450263e+00 3.30 -3.173842173e+00 -3.173842173e+00 3.32 -3.075719649e+00 -3.075719649e+00 3.34 -2.977356529e+00 -2.977356529e+00 3.36 -2.879248810e+00 -2.879248810e+00 3.38 -2.781907163e+00 -2.781907163e+00 3.40 -2.685834134e+00 -2.685834134e+00 3.42 -2.591510436e+00 -2.591510436e+00 3.44 -2.499379240e+00 -2.499379240e+00 3.46 -2.409830711e+00 -2.409830711e+00 3.48 -2.323188818e+00 -2.323188818e+00 3.50 -2.239702067e+00 -2.239702067e+00 3.52 -2.159539137e+00 -2.159539137e+00 3.54 -2.082789625e+00 -2.082789625e+00 3.56 -2.009469424e+00 -2.009469424e+00 3.58 -1.939529726e+00 -1.939529726e+00 3.60 -1.872868384e+00 -1.872868384e+00 3.62 -1.809342342e+00 -1.809342342e+00 3.64 -1.748780004e+00 -1.748780004e+00 3.66 -1.690992707e+00 -1.690992707e+00 3.68 -1.635784753e+00 -1.635784753e+00 3.70 -1.582961747e+00 -1.582961747e+00 3.72 -1.532337159e+00 -1.532337159e+00 3.74 -1.483737189e+00 -1.483737189e+00 3.76 -1.437004030e+00 -1.437004030e+00 3.78 -1.391997666e+00 -1.391997666e+00 3.80 -1.348596324e+00 -1.348596324e+00 3.82 -1.306695713e+00 -1.306695713e+00 3.84 -1.266207260e+00 -1.266207260e+00 3.86 -1.227055565e+00 -1.227055565e+00 3.88 -1.189175440e+00 -1.189175440e+00 3.90 -1.152508888e+00 -1.152508888e+00 3.92 -1.117002425e+00 -1.117002425e+00 3.94 -1.082605037e+00 -1.082605037e+00 3.96 -1.049266957e+00 -1.049266957e+00 3.98 -1.016939333e+00 -1.016939333e+00 4.00 -9.855746411e-01 -9.855746411e-01 4.02 -9.551276745e-01 -9.551276745e-01 4.04 -9.255568276e-01 -9.255568276e-01 4.06 -8.968254054e-01 -8.968254054e-01 4.08 -8.689027033e-01 -8.689027033e-01 4.10 -8.417646374e-01 -8.417646374e-01 4.12 -8.153938156e-01 -8.153938156e-01 4.14 -7.897788697e-01 -7.897788697e-01 4.16 -7.649132019e-01 -7.649132019e-01 4.18 -7.407931442e-01 -7.407931442e-01 4.20 -7.174157746e-01 -7.174157746e-01 4.22 -6.947766453e-01 -6.947766453e-01 4.24 -6.728677068e-01 -6.728677068e-01 4.26 -6.516756827e-01 -6.516756827e-01 4.28 -6.311810641e-01 -6.311810641e-01 4.30 -6.113577815e-01 -6.113577815e-01 4.32 -5.921734990e-01 -5.921734990e-01 4.34 -5.735903837e-01 -5.735903837e-01 4.36 -5.555661575e-01 -5.555661575e-01 4.38 -5.380552389e-01 -5.380552389e-01 4.40 -5.210098132e-01 -5.210098132e-01 4.42 -5.043807331e-01 -5.043807331e-01 4.44 -4.881182081e-01 -4.881182081e-01 4.46 -4.721722976e-01 -4.721722976e-01 4.48 -4.564932642e-01 -4.564932642e-01 4.50 -4.410318629e-01 -4.410318629e-01 4.52 -4.257396504e-01 -4.257396504e-01 4.54 -4.105693927e-01 -4.105693927e-01 4.56 -3.954756344e-01 -3.954756344e-01 4.58 -3.804154664e-01 -3.804154664e-01 4.60 -3.653495509e-01 -3.653495509e-01 4.62 -3.502433644e-01 -3.502433644e-01 4.64 -3.350686241e-01 -3.350686241e-01 4.66 -3.198049739e-01 -3.198049739e-01 4.68 -3.044430358e-01 -3.044430358e-01 4.70 -2.889824150e-01 -2.889824150e-01 4.72 -2.734350852e-01 -2.734350852e-01 4.74 -2.578273900e-01 -2.578273900e-01 4.76 -2.422003502e-01 -2.422003502e-01 4.78 -2.266093526e-01 -2.266093526e-01 4.80 -2.111230406e-01 -2.111230406e-01 4.82 -1.958213121e-01 -1.958213121e-01 4.84 -1.807924198e-01 -1.807924198e-01 4.86 -1.661293129e-01 -1.661293129e-01 4.88 -1.519254486e-01 -1.519254486e-01 4.90 -1.382704097e-01 -1.382704097e-01 4.92 -1.252457025e-01 -1.252457025e-01 4.94 -1.129211049e-01 -1.129211049e-01 4.96 -1.013518668e-01 -1.013518668e-01 4.98 -9.057695845e-02 -9.057695845e-02 5.00 -8.061843402e-02 -8.061843402e-02 5.02 -7.148184993e-02 -7.148184993e-02 5.04 -6.315757432e-02 -6.315757432e-02 5.06 -5.562275896e-02 -5.562275896e-02 5.08 -4.884371907e-02 -4.884371907e-02 5.10 -4.277847699e-02 -4.277847699e-02 5.12 -3.737926314e-02 -3.737926314e-02 5.14 -3.259482663e-02 -3.259482663e-02 5.16 -2.837243290e-02 -2.837243290e-02 5.18 -2.465951647e-02 -2.465951647e-02 5.20 -2.140496929e-02 -2.140496929e-02 5.22 -1.856010774e-02 -1.856010774e-02 5.24 -1.607932128e-02 -1.607932128e-02 5.26 -1.392035395e-02 -1.392035395e-02 5.28 -1.204436381e-02 -1.204436381e-02 5.30 -1.041683396e-02 -1.041683396e-02 5.32 -9.006726250e-03 -9.006726250e-03 5.34 -7.786289953e-03 -7.786289953e-03 5.36 -6.730891322e-03 -6.730891322e-03 5.38 -5.818791893e-03 -5.818791893e-03 5.40 -5.030900885e-03 -5.030900885e-03 5.42 -4.350519503e-03 -4.350519503e-03 5.44 -3.763089215e-03 -3.763089215e-03 5.46 -3.255951768e-03 -3.255951768e-03 5.48 -2.818125593e-03 -2.818125593e-03 5.50 -2.440100989e-03 -2.440100989e-03 5.52 -2.113654944e-03 -2.113654944e-03 5.54 -1.831685412e-03 -1.831685412e-03 5.56 -1.588064195e-03 -1.588064195e-03 5.58 -1.377507196e-03 -1.377507196e-03 5.60 -1.195460581e-03 -1.195460581e-03 5.62 -1.038001345e-03 -1.038001345e-03 5.64 -9.017507453e-04 -9.017507453e-04 5.66 -7.837991731e-04 -7.837991731e-04 5.68 -6.816410848e-04 -6.816410848e-04 5.70 -5.931187692e-04 -5.931187692e-04 5.72 -5.163738182e-04 -5.163738182e-04 5.74 -4.498053005e-04 -4.498053005e-04 5.76 -3.920337465e-04 -3.920337465e-04 5.78 -3.418701626e-04 -3.418701626e-04 5.80 -2.982893863e-04 -2.982893863e-04 5.82 -2.604071853e-04 -2.604071853e-04 5.84 -2.274605786e-04 -2.274605786e-04 5.86 -1.987909299e-04 -1.987909299e-04 5.88 -1.738294239e-04 -1.738294239e-04 5.90 -1.520845884e-04 -1.520845884e-04 5.92 -1.331315745e-04 -1.331315745e-04 5.94 -1.166029435e-04 -1.166029435e-04 5.96 -1.021807495e-04 -1.021807495e-04 5.98 -8.958973174e-05 -8.958973174e-05 6.00 -7.859146047e-05 -7.859146047e-05