# 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 = Mg2PbTa # 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 4.589956270e+02 4.589956270e+02 1.30 4.270425412e+02 4.270425412e+02 1.32 3.973899916e+02 3.973899916e+02 1.34 3.698518633e+02 3.698518633e+02 1.36 3.442606634e+02 3.442606634e+02 1.38 3.204655010e+02 3.204655010e+02 1.40 2.983302644e+02 2.983302644e+02 1.42 2.777322705e+02 2.777322705e+02 1.44 2.585609222e+02 2.585609222e+02 1.46 2.407159401e+02 2.407159401e+02 1.48 2.241052559e+02 2.241052559e+02 1.50 2.086429522e+02 2.086429522e+02 1.52 1.942476766e+02 1.942476766e+02 1.54 1.808418785e+02 1.808418785e+02 1.56 1.683519738e+02 1.683519738e+02 1.58 1.567090824e+02 1.567090824e+02 1.60 1.458497150e+02 1.458497150e+02 1.62 1.357160149e+02 1.357160149e+02 1.64 1.262555181e+02 1.262555181e+02 1.66 1.174206332e+02 1.174206332e+02 1.68 1.091680077e+02 1.091680077e+02 1.70 1.014593475e+02 1.014593475e+02 1.72 9.426186181e+01 9.426186181e+01 1.74 8.754116180e+01 8.754116180e+01 1.76 8.126776079e+01 8.126776079e+01 1.78 7.541599715e+01 7.541599715e+01 1.80 6.995712630e+01 6.995712630e+01 1.82 6.486472294e+01 6.486472294e+01 1.84 6.011462186e+01 6.011462186e+01 1.86 5.568468446e+01 5.568468446e+01 1.88 5.155459110e+01 5.155459110e+01 1.90 4.770553326e+01 4.770553326e+01 1.92 4.411985853e+01 4.411985853e+01 1.94 4.078074316e+01 4.078074316e+01 1.96 3.767194758e+01 3.767194758e+01 1.98 3.477771367e+01 3.477771367e+01 2.00 3.208280667e+01 3.208280667e+01 2.02 2.957267293e+01 2.957267293e+01 2.04 2.723365007e+01 2.723365007e+01 2.06 2.505315499e+01 2.505315499e+01 2.08 2.301978685e+01 2.301978685e+01 2.10 2.112332287e+01 2.112332287e+01 2.12 1.935461893e+01 1.935461893e+01 2.14 1.770545223e+01 1.770545223e+01 2.16 1.616835319e+01 1.616835319e+01 2.18 1.473645353e+01 1.473645353e+01 2.20 1.340336350e+01 1.340336350e+01 2.22 1.216307879e+01 1.216307879e+01 2.24 1.100991230e+01 1.100991230e+01 2.26 9.938444993e+00 9.938444993e+00 2.28 8.943484480e+00 8.943484480e+00 2.30 8.020042057e+00 8.020042057e+00 2.32 7.163304125e+00 7.163304125e+00 2.34 6.368633833e+00 6.368633833e+00 2.36 5.631681697e+00 5.631681697e+00 2.38 4.948195093e+00 4.948195093e+00 2.40 4.313969521e+00 4.313969521e+00 2.42 3.725144280e+00 3.725144280e+00 2.44 3.178227290e+00 3.178227290e+00 2.46 2.670094675e+00 2.670094675e+00 2.48 2.198007942e+00 2.198007942e+00 2.50 1.759801023e+00 1.759801023e+00 2.52 1.353567862e+00 1.353567862e+00 2.54 9.774876566e-01 9.774876566e-01 2.56 6.298261393e-01 6.298261393e-01 2.58 3.089328352e-01 3.089328352e-01 2.60 1.323636439e-02 1.323636439e-02 2.62 -2.587597772e-01 -2.587597772e-01 2.64 -5.084850851e-01 -5.084850851e-01 2.66 -7.373003658e-01 -7.373003658e-01 2.68 -9.465042826e-01 -9.465042826e-01 2.70 -1.137333886e+00 -1.137333886e+00 2.72 -1.310965293e+00 -1.310965293e+00 2.74 -1.468513733e+00 -1.468513733e+00 2.76 -1.611033358e+00 -1.611033358e+00 2.78 -1.739516933e+00 -1.739516933e+00 2.80 -1.854898025e+00 -1.854898025e+00 2.82 -1.958050350e+00 -1.958050350e+00 2.84 -2.049792164e+00 -2.049792164e+00 2.86 -2.130889320e+00 -2.130889320e+00 2.88 -2.202059245e+00 -2.202059245e+00 2.90 -2.263975005e+00 -2.263975005e+00 2.92 -2.317269121e+00 -2.317269121e+00 2.94 -2.362536916e+00 -2.362536916e+00 2.96 -2.400339252e+00 -2.400339252e+00 2.98 -2.431204592e+00 -2.431204592e+00 3.00 -2.455630401e+00 -2.455630401e+00 3.02 -2.474083935e+00 -2.474083935e+00 3.04 -2.487001328e+00 -2.487001328e+00 3.06 -2.494792707e+00 -2.494792707e+00 3.08 -2.497834041e+00 -2.497834041e+00 3.10 -2.496473320e+00 -2.496473320e+00 3.12 -2.491029199e+00 -2.491029199e+00 3.14 -2.481796427e+00 -2.481796427e+00 3.16 -2.469043182e+00 -2.469043182e+00 3.18 -2.453050228e+00 -2.453050228e+00 3.20 -2.434064293e+00 -2.434064293e+00 3.22 -2.412221862e+00 -2.412221862e+00 3.24 -2.387667763e+00 -2.387667763e+00 3.26 -2.360563811e+00 -2.360563811e+00 3.28 -2.331093362e+00 -2.331093362e+00 3.30 -2.299445236e+00 -2.299445236e+00 3.32 -2.265803729e+00 -2.265803729e+00 3.34 -2.230383247e+00 -2.230383247e+00 3.36 -2.193425161e+00 -2.193425161e+00 3.38 -2.155187382e+00 -2.155187382e+00 3.40 -2.115931895e+00 -2.115931895e+00 3.42 -2.075913451e+00 -2.075913451e+00 3.44 -2.035367101e+00 -2.035367101e+00 3.46 -1.994500998e+00 -1.994500998e+00 3.48 -1.953509239e+00 -1.953509239e+00 3.50 -1.912550634e+00 -1.912550634e+00 3.52 -1.871696872e+00 -1.871696872e+00 3.54 -1.830992582e+00 -1.830992582e+00 3.56 -1.790460625e+00 -1.790460625e+00 3.58 -1.750107075e+00 -1.750107075e+00 3.60 -1.709926756e+00 -1.709926756e+00 3.62 -1.669908730e+00 -1.669908730e+00 3.64 -1.630014754e+00 -1.630014754e+00 3.66 -1.590129618e+00 -1.590129618e+00 3.68 -1.550140649e+00 -1.550140649e+00 3.70 -1.509958868e+00 -1.509958868e+00 3.72 -1.469522661e+00 -1.469522661e+00 3.74 -1.428800981e+00 -1.428800981e+00 3.76 -1.387795719e+00 -1.387795719e+00 3.78 -1.346542933e+00 -1.346542933e+00 3.80 -1.305112630e+00 -1.305112630e+00 3.82 -1.263606809e+00 -1.263606809e+00 3.84 -1.222155657e+00 -1.222155657e+00 3.86 -1.180911907e+00 -1.180911907e+00 3.88 -1.140043624e+00 -1.140043624e+00 3.90 -1.099725898e+00 -1.099725898e+00 3.92 -1.060131499e+00 -1.060131499e+00 3.94 -1.021425234e+00 -1.021425234e+00 3.96 -9.837524726e-01 -9.837524726e-01 3.98 -9.472366085e-01 -9.472366085e-01 4.00 -9.119747509e-01 -9.119747509e-01 4.02 -8.780362849e-01 -8.780362849e-01 4.04 -8.454633084e-01 -8.454633084e-01 4.06 -8.142725820e-01 -8.142725820e-01 4.08 -7.844585446e-01 -7.844585446e-01 4.10 -7.559951782e-01 -7.559951782e-01 4.12 -7.288472371e-01 -7.288472371e-01 4.14 -7.029623783e-01 -7.029623783e-01 4.16 -6.782827590e-01 -6.782827590e-01 4.18 -6.547458662e-01 -6.547458662e-01 4.20 -6.322870064e-01 -6.322870064e-01 4.22 -6.108412908e-01 -6.108412908e-01 4.24 -5.903451496e-01 -5.903451496e-01 4.26 -5.707374312e-01 -5.707374312e-01 4.28 -5.519601493e-01 -5.519601493e-01 4.30 -5.339589441e-01 -5.339589441e-01 4.32 -5.166833179e-01 -5.166833179e-01 4.34 -5.000866987e-01 -5.000866987e-01 4.36 -4.841263765e-01 -4.841263765e-01 4.38 -4.687633498e-01 -4.687633498e-01 4.40 -4.539621110e-01 -4.539621110e-01 4.42 -4.396903939e-01 -4.396903939e-01 4.44 -4.259189000e-01 -4.259189000e-01 4.46 -4.126210191e-01 -4.126210191e-01 4.48 -3.997725520e-01 -3.997725520e-01 4.50 -3.873514433e-01 -3.873514433e-01 4.52 -3.753375310e-01 -3.753375310e-01 4.54 -3.637123141e-01 -3.637123141e-01 4.56 -3.524587432e-01 -3.524587432e-01 4.58 -3.415610327e-01 -3.415610327e-01 4.60 -3.310044972e-01 -3.310044972e-01 4.62 -3.207754096e-01 -3.207754096e-01 4.64 -3.108608808e-01 -3.108608808e-01 4.66 -3.012487595e-01 -3.012487595e-01 4.68 -2.919275490e-01 -2.919275490e-01 4.70 -2.828863392e-01 -2.828863392e-01 4.72 -2.741147510e-01 -2.741147510e-01 4.74 -2.656028906e-01 -2.656028906e-01 4.76 -2.573413112e-01 -2.573413112e-01 4.78 -2.493209796e-01 -2.493209796e-01 4.80 -2.415320999e-01 -2.415320999e-01 4.82 -2.339688605e-01 -2.339688605e-01 4.84 -2.266219317e-01 -2.266219317e-01 4.86 -2.194836623e-01 -2.194836623e-01 4.88 -2.125466839e-01 -2.125466839e-01 4.90 -2.058038925e-01 -2.058038925e-01 4.92 -1.992484328e-01 -1.992484328e-01 4.94 -1.928736891e-01 -1.928736891e-01 4.96 -1.866732811e-01 -1.866732811e-01 4.98 -1.806410676e-01 -1.806410676e-01 5.00 -1.747711572e-01 -1.747711572e-01 5.02 -1.690579266e-01 -1.690579266e-01 5.04 -1.634960460e-01 -1.634960460e-01 5.06 -1.580805103e-01 -1.580805103e-01 5.08 -1.528066735e-01 -1.528066735e-01 5.10 -1.476702865e-01 -1.476702865e-01 5.12 -1.426675309e-01 -1.426675309e-01 5.14 -1.377950497e-01 -1.377950497e-01 5.16 -1.330499666e-01 -1.330499666e-01 5.18 -1.284298945e-01 -1.284298945e-01 5.20 -1.239329259e-01 -1.239329259e-01 5.22 -1.195576050e-01 -1.195576050e-01 5.24 -1.153028803e-01 -1.153028803e-01 5.26 -1.111680374e-01 -1.111680374e-01 5.28 -1.071526168e-01 -1.071526168e-01 5.30 -1.032563201e-01 -1.032563201e-01 5.32 -9.947891073e-02 -9.947891073e-02 5.34 -9.582011460e-02 -9.582011460e-02 5.36 -9.227952954e-02 -9.227952954e-02 5.38 -8.885654534e-02 -8.885654534e-02 5.40 -8.555027818e-02 -8.555027818e-02 5.42 -8.235952043e-02 -8.235952043e-02 5.44 -7.928270498e-02 -7.928270498e-02 5.46 -7.631788228e-02 -7.631788228e-02 5.48 -7.346270814e-02 -7.346270814e-02 5.50 -7.071444198e-02 -7.071444198e-02 5.52 -6.806995239e-02 -6.806995239e-02 5.54 -6.552573223e-02 -6.552573223e-02 5.56 -6.307792363e-02 -6.307792363e-02 5.58 -6.072235316e-02 -6.072235316e-02 5.60 -5.845457726e-02 -5.845457726e-02 5.62 -5.626993707e-02 -5.626993707e-02 5.64 -5.416362169e-02 -5.416362169e-02 5.66 -5.213073084e-02 -5.213073084e-02 5.68 -5.016634446e-02 -5.016634446e-02 5.70 -4.826558997e-02 -4.826558997e-02 5.72 -4.642370513e-02 -4.642370513e-02 5.74 -4.463609489e-02 -4.463609489e-02 5.76 -4.289833396e-02 -4.289833396e-02 5.78 -4.120627848e-02 -4.120627848e-02 5.80 -3.955611554e-02 -3.955611554e-02 5.82 -3.794439045e-02 -3.794439045e-02 5.84 -3.636800989e-02 -3.636800989e-02 5.86 -3.482426603e-02 -3.482426603e-02 5.88 -3.331085711e-02 -3.331085711e-02 5.90 -3.182590374e-02 -3.182590374e-02 5.92 -3.036796063e-02 -3.036796063e-02 5.94 -2.893598892e-02 -2.893598892e-02 5.96 -2.752906428e-02 -2.752906428e-02 5.98 -2.614704253e-02 -2.614704253e-02 6.00 -2.479030818e-02 -2.479030818e-02