# 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 = Co2MoTi # 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 2.015452189e+02 2.015452189e+02 1.30 1.855782219e+02 1.855782219e+02 1.32 1.708648062e+02 1.708648062e+02 1.34 1.572981223e+02 1.572981223e+02 1.36 1.447795390e+02 1.447795390e+02 1.38 1.332191117e+02 1.332191117e+02 1.40 1.225357285e+02 1.225357285e+02 1.42 1.126567439e+02 1.126567439e+02 1.44 1.035171322e+02 1.035171322e+02 1.46 9.505856668e+01 9.505856668e+01 1.48 8.722870914e+01 8.722870914e+01 1.50 7.998056111e+01 7.998056111e+01 1.52 7.327163382e+01 7.327163382e+01 1.54 6.706310110e+01 6.706310110e+01 1.56 6.131924292e+01 6.131924292e+01 1.58 5.600711035e+01 5.600711035e+01 1.60 5.109615842e+01 5.109615842e+01 1.62 4.655781049e+01 4.655781049e+01 1.64 4.236507222e+01 4.236507222e+01 1.66 3.849228229e+01 3.849228229e+01 1.68 3.491504653e+01 3.491504653e+01 1.70 3.161033413e+01 3.161033413e+01 1.72 2.855660769e+01 2.855660769e+01 1.74 2.573490599e+01 2.573490599e+01 1.76 2.312873034e+01 2.312873034e+01 1.78 2.072200149e+01 2.072200149e+01 1.80 1.849983575e+01 1.849983575e+01 1.82 1.644793419e+01 1.644793419e+01 1.84 1.455354769e+01 1.455354769e+01 1.86 1.280536121e+01 1.280536121e+01 1.88 1.119327137e+01 1.119327137e+01 1.90 9.708101690e+00 9.708101690e+00 1.92 8.341323356e+00 8.341323356e+00 1.94 7.084854283e+00 7.084854283e+00 1.96 5.930974173e+00 5.930974173e+00 1.98 4.872332986e+00 4.872332986e+00 2.00 3.901988691e+00 3.901988691e+00 2.02 3.013418704e+00 3.013418704e+00 2.04 2.200487944e+00 2.200487944e+00 2.06 1.457393558e+00 1.457393558e+00 2.08 7.786221615e-01 7.786221615e-01 2.10 1.589425555e-01 1.589425555e-01 2.12 -4.065692159e-01 -4.065692159e-01 2.14 -9.224900904e-01 -9.224900904e-01 2.16 -1.393012115e+00 -1.393012115e+00 2.18 -1.821919252e+00 -1.821919252e+00 2.20 -2.212588686e+00 -2.212588686e+00 2.22 -2.568021414e+00 -2.568021414e+00 2.24 -2.890895267e+00 -2.890895267e+00 2.26 -3.183624462e+00 -3.183624462e+00 2.28 -3.448409874e+00 -3.448409874e+00 2.30 -3.687272223e+00 -3.687272223e+00 2.32 -3.902071563e+00 -3.902071563e+00 2.34 -4.094518249e+00 -4.094518249e+00 2.36 -4.266182592e+00 -4.266182592e+00 2.38 -4.418506484e+00 -4.418506484e+00 2.40 -4.552818797e+00 -4.552818797e+00 2.42 -4.670353147e+00 -4.670353147e+00 2.44 -4.772218934e+00 -4.772218934e+00 2.46 -4.859404381e+00 -4.859404381e+00 2.48 -4.933082971e+00 -4.933082971e+00 2.50 -4.994368296e+00 -4.994368296e+00 2.52 -5.044298100e+00 -5.044298100e+00 2.54 -5.083840713e+00 -5.083840713e+00 2.56 -5.113910756e+00 -5.113910756e+00 2.58 -5.135409818e+00 -5.135409818e+00 2.60 -5.149012867e+00 -5.149012867e+00 2.62 -5.155129401e+00 -5.155129401e+00 2.64 -5.154150585e+00 -5.154150585e+00 2.66 -5.146457120e+00 -5.146457120e+00 2.68 -5.132289825e+00 -5.132289825e+00 2.70 -5.111882241e+00 -5.111882241e+00 2.72 -5.085389549e+00 -5.085389549e+00 2.74 -5.052875770e+00 -5.052875770e+00 2.76 -5.014444633e+00 -5.014444633e+00 2.78 -4.970244485e+00 -4.970244485e+00 2.80 -4.920461467e+00 -4.920461467e+00 2.82 -4.865270711e+00 -4.865270711e+00 2.84 -4.804798485e+00 -4.804798485e+00 2.86 -4.739214347e+00 -4.739214347e+00 2.88 -4.668741165e+00 -4.668741165e+00 2.90 -4.593654716e+00 -4.593654716e+00 2.92 -4.514283658e+00 -4.514283658e+00 2.94 -4.431008687e+00 -4.431008687e+00 2.96 -4.344260000e+00 -4.344260000e+00 2.98 -4.254512179e+00 -4.254512179e+00 3.00 -4.162275322e+00 -4.162275322e+00 3.02 -4.068081039e+00 -4.068081039e+00 3.04 -3.972462552e+00 -3.972462552e+00 3.06 -3.875930312e+00 -3.875930312e+00 3.08 -3.778945737e+00 -3.778945737e+00 3.10 -3.681899217e+00 -3.681899217e+00 3.12 -3.585096108e+00 -3.585096108e+00 3.14 -3.488753727e+00 -3.488753727e+00 3.16 -3.393008150e+00 -3.393008150e+00 3.18 -3.297928762e+00 -3.297928762e+00 3.20 -3.203536286e+00 -3.203536286e+00 3.22 -3.109821372e+00 -3.109821372e+00 3.24 -3.016761641e+00 -3.016761641e+00 3.26 -2.924336169e+00 -2.924336169e+00 3.28 -2.832537167e+00 -2.832537167e+00 3.30 -2.741378952e+00 -2.741378952e+00 3.32 -2.650904391e+00 -2.650904391e+00 3.34 -2.561188926e+00 -2.561188926e+00 3.36 -2.472342237e+00 -2.472342237e+00 3.38 -2.384507499e+00 -2.384507499e+00 3.40 -2.297858262e+00 -2.297858262e+00 3.42 -2.212593173e+00 -2.212593173e+00 3.44 -2.128928605e+00 -2.128928605e+00 3.46 -2.047090014e+00 -2.047090014e+00 3.48 -1.967302360e+00 -1.967302360e+00 3.50 -1.889780360e+00 -1.889780360e+00 3.52 -1.814719139e+00 -1.814719139e+00 3.54 -1.742285829e+00 -1.742285829e+00 3.56 -1.672612562e+00 -1.672612562e+00 3.58 -1.605791304e+00 -1.605791304e+00 3.60 -1.541870937e+00 -1.541870937e+00 3.62 -1.480856927e+00 -1.480856927e+00 3.64 -1.422713667e+00 -1.422713667e+00 3.66 -1.367369233e+00 -1.367369233e+00 3.68 -1.314721985e+00 -1.314721985e+00 3.70 -1.264648154e+00 -1.264648154e+00 3.72 -1.217009543e+00 -1.217009543e+00 3.74 -1.171660610e+00 -1.171660610e+00 3.76 -1.128454433e+00 -1.128454433e+00 3.78 -1.087247317e+00 -1.087247317e+00 3.80 -1.047902055e+00 -1.047902055e+00 3.82 -1.010289962e+00 -1.010289962e+00 3.84 -9.742919112e-01 -9.742919112e-01 3.86 -9.397986159e-01 -9.397986159e-01 3.88 -9.067103706e-01 -9.067103706e-01 3.90 -8.749364569e-01 -8.749364569e-01 3.92 -8.443943319e-01 -8.443943319e-01 3.94 -8.150088918e-01 -8.150088918e-01 3.96 -7.867114330e-01 -7.867114330e-01 3.98 -7.594389954e-01 -7.594389954e-01 4.00 -7.331336297e-01 -7.331336297e-01 4.02 -7.077418129e-01 -7.077418129e-01 4.04 -6.832139908e-01 -6.832139908e-01 4.06 -6.595042518e-01 -6.595042518e-01 4.08 -6.365701378e-01 -6.365701378e-01 4.10 -6.143725310e-01 -6.143725310e-01 4.12 -5.928759760e-01 -5.928759760e-01 4.14 -5.720484673e-01 -5.720484673e-01 4.16 -5.518619809e-01 -5.518619809e-01 4.18 -5.322926747e-01 -5.322926747e-01 4.20 -5.133211066e-01 -5.133211066e-01 4.22 -4.949323096e-01 -4.949323096e-01 4.24 -4.771156293e-01 -4.771156293e-01 4.26 -4.598642484e-01 -4.598642484e-01 4.28 -4.431743667e-01 -4.431743667e-01 4.30 -4.270440618e-01 -4.270440618e-01 4.32 -4.114719313e-01 -4.114719313e-01 4.34 -3.964556753e-01 -3.964556753e-01 4.36 -3.819908051e-01 -3.819908051e-01 4.38 -3.680696497e-01 -3.680696497e-01 4.40 -3.546807751e-01 -3.546807751e-01 4.42 -3.418088508e-01 -3.418088508e-01 4.44 -3.294349178e-01 -3.294349178e-01 4.46 -3.175369561e-01 -3.175369561e-01 4.48 -3.060906189e-01 -3.060906189e-01 4.50 -2.950700117e-01 -2.950700117e-01 4.52 -2.844484165e-01 -2.844484165e-01 4.54 -2.741989024e-01 -2.741989024e-01 4.56 -2.642947963e-01 -2.642947963e-01 4.58 -2.547100177e-01 -2.547100177e-01 4.60 -2.454193001e-01 -2.454193001e-01 4.62 -2.363983304e-01 -2.363983304e-01 4.64 -2.276238423e-01 -2.276238423e-01 4.66 -2.190736974e-01 -2.190736974e-01 4.68 -2.107269840e-01 -2.107269840e-01 4.70 -2.025641593e-01 -2.025641593e-01 4.72 -1.945672535e-01 -1.945672535e-01 4.74 -1.867201463e-01 -1.867201463e-01 4.76 -1.790089208e-01 -1.790089208e-01 4.78 -1.714222846e-01 -1.714222846e-01 4.80 -1.639519958e-01 -1.639519958e-01 4.82 -1.565935159e-01 -1.565935159e-01 4.84 -1.493461769e-01 -1.493461769e-01 4.86 -1.422137068e-01 -1.422137068e-01 4.88 -1.352043395e-01 -1.352043395e-01 4.90 -1.283307306e-01 -1.283307306e-01 4.92 -1.216095727e-01 -1.216095727e-01 4.94 -1.150608854e-01 -1.150608854e-01 4.96 -1.087069920e-01 -1.087069920e-01 4.98 -1.025712410e-01 -1.025712410e-01 5.00 -9.667657722e-02 -9.667657722e-02 5.02 -9.104409162e-02 -9.104409162e-02 5.04 -8.569169970e-02 -8.569169970e-02 5.06 -8.063306143e-02 -8.063306143e-02 5.08 -7.587671558e-02 -7.587671558e-02 5.10 -7.142591519e-02 -7.142591519e-02 5.12 -6.727888661e-02 -6.727888661e-02 5.14 -6.342890451e-02 -6.342890451e-02 5.16 -5.986495346e-02 -5.986495346e-02 5.18 -5.657248284e-02 -5.657248284e-02 5.20 -5.353424965e-02 -5.353424965e-02 5.22 -5.073171862e-02 -5.073171862e-02 5.24 -4.814541662e-02 -4.814541662e-02 5.26 -4.575561023e-02 -4.575561023e-02 5.28 -4.354288923e-02 -4.354288923e-02 5.30 -4.148860226e-02 -4.148860226e-02 5.32 -3.957515680e-02 -3.957515680e-02 5.34 -3.778620270e-02 -3.778620270e-02 5.36 -3.610672213e-02 -3.610672213e-02 5.38 -3.452304833e-02 -3.452304833e-02 5.40 -3.302283445e-02 -3.302283445e-02 5.42 -3.159499023e-02 -3.159499023e-02 5.44 -3.022960151e-02 -3.022960151e-02 5.46 -2.891784407e-02 -2.891784407e-02 5.48 -2.765190060e-02 -2.765190060e-02 5.50 -2.642488688e-02 -2.642488688e-02 5.52 -2.523079131e-02 -2.523079131e-02 5.54 -2.406443010e-02 -2.406443010e-02 5.56 -2.292141826e-02 -2.292141826e-02 5.58 -2.179815589e-02 -2.179815589e-02 5.60 -2.069182736e-02 -2.069182736e-02 5.62 -1.960040921e-02 -1.960040921e-02 5.64 -1.852268163e-02 -1.852268163e-02 5.66 -1.745823724e-02 -1.745823724e-02 5.68 -1.640747960e-02 -1.640747960e-02 5.70 -1.537160410e-02 -1.537160410e-02 5.72 -1.435255400e-02 -1.435255400e-02 5.74 -1.335294604e-02 -1.335294604e-02 5.76 -1.237596078e-02 -1.237596078e-02 5.78 -1.142510041e-02 -1.142510041e-02 5.80 -1.050420750e-02 -1.050420750e-02 5.82 -9.617262850e-03 -9.617262850e-03 5.84 -8.768110692e-03 -8.768110692e-03 5.86 -7.960266767e-03 -7.960266767e-03 5.88 -7.196747306e-03 -7.196747306e-03 5.90 -6.479931497e-03 -6.479931497e-03 5.92 -5.811466639e-03 -5.811466639e-03 5.94 -5.192220579e-03 -5.192220579e-03 5.96 -4.622281131e-03 -4.622281131e-03 5.98 -4.100997745e-03 -4.100997745e-03 6.00 -3.627057340e-03 -3.627057340e-03