# 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 = Mg2TiW # 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 4.517560544e+02 4.517560544e+02 1.30 4.184641038e+02 4.184641038e+02 1.32 3.876900137e+02 3.876900137e+02 1.34 3.592307005e+02 3.592307005e+02 1.36 3.328986402e+02 3.328986402e+02 1.38 3.085209544e+02 3.085209544e+02 1.40 2.859388929e+02 2.859388929e+02 1.42 2.650075694e+02 2.650075694e+02 1.44 2.455958336e+02 2.455958336e+02 1.46 2.275857354e+02 2.275857354e+02 1.48 2.108711454e+02 2.108711454e+02 1.50 1.953558628e+02 1.953558628e+02 1.52 1.809519280e+02 1.809519280e+02 1.54 1.675785125e+02 1.675785125e+02 1.56 1.551613316e+02 1.551613316e+02 1.58 1.436322180e+02 1.436322180e+02 1.60 1.329285336e+02 1.329285336e+02 1.62 1.229924233e+02 1.229924233e+02 1.64 1.137700997e+02 1.137700997e+02 1.66 1.052112508e+02 1.052112508e+02 1.68 9.726860371e+01 9.726860371e+01 1.70 8.989769773e+01 8.989769773e+01 1.72 8.305687989e+01 8.305687989e+01 1.74 7.670782813e+01 7.670782813e+01 1.76 7.081460569e+01 7.081460569e+01 1.78 6.534380334e+01 6.534380334e+01 1.80 6.026418103e+01 6.026418103e+01 1.82 5.554659388e+01 5.554659388e+01 1.84 5.116378851e+01 5.116378851e+01 1.86 4.709114146e+01 4.709114146e+01 1.88 4.330635698e+01 4.330635698e+01 1.90 3.978924676e+01 3.978924676e+01 1.92 3.652145964e+01 3.652145964e+01 1.94 3.348617016e+01 3.348617016e+01 1.96 3.066781177e+01 3.066781177e+01 1.98 2.805189269e+01 2.805189269e+01 2.00 2.562485945e+01 2.562485945e+01 2.02 2.337396446e+01 2.337396446e+01 2.04 2.128713629e+01 2.128713629e+01 2.06 1.935287947e+01 1.935287947e+01 2.08 1.756022719e+01 1.756022719e+01 2.10 1.589875081e+01 1.589875081e+01 2.12 1.435860664e+01 1.435860664e+01 2.14 1.293059536e+01 1.293059536e+01 2.16 1.160621391e+01 1.160621391e+01 2.18 1.037767869e+01 1.037767869e+01 2.20 9.237912984e+00 9.237912984e+00 2.22 8.180494943e+00 8.180494943e+00 2.24 7.199584307e+00 7.199584307e+00 2.26 6.289846184e+00 6.289846184e+00 2.28 5.446384793e+00 5.446384793e+00 2.30 4.664737925e+00 4.664737925e+00 2.32 3.940816285e+00 3.940816285e+00 2.34 3.270682405e+00 3.270682405e+00 2.36 2.650715478e+00 2.650715478e+00 2.38 2.077582397e+00 2.077582397e+00 2.40 1.548195319e+00 1.548195319e+00 2.42 1.059672291e+00 1.059672291e+00 2.44 6.093094646e-01 6.093094646e-01 2.46 1.946866832e-01 1.946866832e-01 2.48 -1.863015450e-01 -1.863015450e-01 2.50 -5.356791627e-01 -5.356791627e-01 2.52 -8.553933790e-01 -8.553933790e-01 2.54 -1.147299186e+00 -1.147299186e+00 2.56 -1.413148442e+00 -1.413148442e+00 2.58 -1.654584459e+00 -1.654584459e+00 2.60 -1.873169072e+00 -1.873169072e+00 2.62 -2.070367523e+00 -2.070367523e+00 2.64 -2.247454345e+00 -2.247454345e+00 2.66 -2.405633373e+00 -2.405633373e+00 2.68 -2.546052425e+00 -2.546052425e+00 2.70 -2.669808967e+00 -2.669808967e+00 2.72 -2.777954498e+00 -2.777954498e+00 2.74 -2.871490032e+00 -2.871490032e+00 2.76 -2.951258181e+00 -2.951258181e+00 2.78 -3.017980944e+00 -3.017980944e+00 2.80 -3.072364690e+00 -3.072364690e+00 2.82 -3.115099573e+00 -3.115099573e+00 2.84 -3.146862026e+00 -3.146862026e+00 2.86 -3.168318864e+00 -3.168318864e+00 2.88 -3.180133951e+00 -3.180133951e+00 2.90 -3.182975655e+00 -3.182975655e+00 2.92 -3.177523557e+00 -3.177523557e+00 2.94 -3.164473201e+00 -3.164473201e+00 2.96 -3.144538071e+00 -3.144538071e+00 2.98 -3.118448115e+00 -3.118448115e+00 3.00 -3.086944075e+00 -3.086944075e+00 3.02 -3.050766889e+00 -3.050766889e+00 3.04 -3.010641810e+00 -3.010641810e+00 3.06 -2.967260555e+00 -2.967260555e+00 3.08 -2.921259265e+00 -2.921259265e+00 3.10 -2.873202928e+00 -2.873202928e+00 3.12 -2.823573241e+00 -2.823573241e+00 3.14 -2.772766996e+00 -2.772766996e+00 3.16 -2.721095868e+00 -2.721095868e+00 3.18 -2.668797746e+00 -2.668797746e+00 3.20 -2.616048276e+00 -2.616048276e+00 3.22 -2.562974502e+00 -2.562974502e+00 3.24 -2.509668362e+00 -2.509668362e+00 3.26 -2.456198892e+00 -2.456198892e+00 3.28 -2.402622415e+00 -2.402622415e+00 3.30 -2.348990335e+00 -2.348990335e+00 3.32 -2.295354564e+00 -2.295354564e+00 3.34 -2.241770964e+00 -2.241770964e+00 3.36 -2.188301473e+00 -2.188301473e+00 3.38 -2.135022143e+00 -2.135022143e+00 3.40 -2.082069782e+00 -2.082069782e+00 3.42 -2.029461247e+00 -2.029461247e+00 3.44 -1.977206340e+00 -1.977206340e+00 3.46 -1.925348426e+00 -1.925348426e+00 3.48 -1.873963009e+00 -1.873963009e+00 3.50 -1.823126271e+00 -1.823126271e+00 3.52 -1.772770499e+00 -1.772770499e+00 3.54 -1.722835201e+00 -1.722835201e+00 3.56 -1.673340727e+00 -1.673340727e+00 3.58 -1.624367234e+00 -1.624367234e+00 3.60 -1.576032496e+00 -1.576032496e+00 3.62 -1.528471062e+00 -1.528471062e+00 3.64 -1.481816781e+00 -1.481816781e+00 3.66 -1.436189892e+00 -1.436189892e+00 3.68 -1.391689001e+00 -1.391689001e+00 3.70 -1.348387477e+00 -1.348387477e+00 3.72 -1.306333319e+00 -1.306333319e+00 3.74 -1.265551384e+00 -1.265551384e+00 3.76 -1.226046952e+00 -1.226046952e+00 3.78 -1.187809805e+00 -1.187809805e+00 3.80 -1.150818239e+00 -1.150818239e+00 3.82 -1.115042630e+00 -1.115042630e+00 3.84 -1.080448373e+00 -1.080448373e+00 3.86 -1.046998099e+00 -1.046998099e+00 3.88 -1.014653202e+00 -1.014653202e+00 3.90 -9.833747746e-01 -9.833747746e-01 3.92 -9.531238815e-01 -9.531238815e-01 3.94 -9.238626616e-01 -9.238626616e-01 3.96 -8.955530171e-01 -8.955530171e-01 3.98 -8.681576922e-01 -8.681576922e-01 4.00 -8.416401535e-01 -8.416401535e-01 4.02 -8.159647979e-01 -8.159647979e-01 4.04 -7.910971975e-01 -7.910971975e-01 4.06 -7.670043407e-01 -7.670043407e-01 4.08 -7.436548316e-01 -7.436548316e-01 4.10 -7.210182526e-01 -7.210182526e-01 4.12 -6.990684682e-01 -6.990684682e-01 4.14 -6.777784868e-01 -6.777784868e-01 4.16 -6.571240196e-01 -6.571240196e-01 4.18 -6.370824058e-01 -6.370824058e-01 4.20 -6.176324791e-01 -6.176324791e-01 4.22 -5.987544225e-01 -5.987544225e-01 4.24 -5.804296215e-01 -5.804296215e-01 4.26 -5.626405244e-01 -5.626405244e-01 4.28 -5.453705146e-01 -5.453705146e-01 4.30 -5.286037973e-01 -5.286037973e-01 4.32 -5.123253026e-01 -5.123253026e-01 4.34 -4.965206016e-01 -4.965206016e-01 4.36 -4.811758355e-01 -4.811758355e-01 4.38 -4.662776539e-01 -4.662776539e-01 4.40 -4.518131594e-01 -4.518131594e-01 4.42 -4.377698564e-01 -4.377698564e-01 4.44 -4.241356023e-01 -4.241356023e-01 4.46 -4.108985593e-01 -4.108985593e-01 4.48 -3.980471483e-01 -3.980471483e-01 4.50 -3.855700027e-01 -3.855700027e-01 4.52 -3.734559268e-01 -3.734559268e-01 4.54 -3.616938563e-01 -3.616938563e-01 4.56 -3.502728257e-01 -3.502728257e-01 4.58 -3.391819421e-01 -3.391819421e-01 4.60 -3.284103675e-01 -3.284103675e-01 4.62 -3.179473105e-01 -3.179473105e-01 4.64 -3.077820283e-01 -3.077820283e-01 4.66 -2.979038408e-01 -2.979038408e-01 4.68 -2.883021560e-01 -2.883021560e-01 4.70 -2.789665087e-01 -2.789665087e-01 4.72 -2.698866130e-01 -2.698866130e-01 4.74 -2.610524291e-01 -2.610524291e-01 4.76 -2.524542457e-01 -2.524542457e-01 4.78 -2.440827783e-01 -2.440827783e-01 4.80 -2.359288627e-01 -2.359288627e-01 4.82 -2.279853364e-01 -2.279853364e-01 4.84 -2.202444230e-01 -2.202444230e-01 4.86 -2.126998037e-01 -2.126998037e-01 4.88 -2.053462436e-01 -2.053462436e-01 4.90 -1.981797085e-01 -1.981797085e-01 4.92 -1.911974435e-01 -1.911974435e-01 4.94 -1.843979962e-01 -1.843979962e-01 4.96 -1.777811651e-01 -1.777811651e-01 4.98 -1.713478593e-01 -1.713478593e-01 5.00 -1.650998645e-01 -1.650998645e-01 5.02 -1.590395218e-01 -1.590395218e-01 5.04 -1.531693388e-01 -1.531693388e-01 5.06 -1.474915679e-01 -1.474915679e-01 5.08 -1.420077898e-01 -1.420077898e-01 5.10 -1.367185486e-01 -1.367185486e-01 5.12 -1.316230743e-01 -1.316230743e-01 5.14 -1.267191177e-01 -1.267191177e-01 5.16 -1.220029087e-01 -1.220029087e-01 5.18 -1.174692298e-01 -1.174692298e-01 5.20 -1.131115856e-01 -1.131115856e-01 5.22 -1.089224392e-01 -1.089224392e-01 5.24 -1.048934865e-01 -1.048934865e-01 5.26 -1.010159379e-01 -1.010159379e-01 5.28 -9.728078644e-02 -9.728078644e-02 5.30 -9.367904441e-02 -9.367904441e-02 5.32 -9.020193983e-02 -9.020193983e-02 5.34 -8.684106868e-02 -8.684106868e-02 5.36 -8.358850300e-02 -8.358850300e-02 5.38 -8.043685751e-02 -8.043685751e-02 5.40 -7.737931989e-02 -7.737931989e-02 5.42 -7.440964999e-02 -7.440964999e-02 5.44 -7.152215514e-02 -7.152215514e-02 5.46 -6.871164857e-02 -6.871164857e-02 5.48 -6.597339941e-02 -6.597339941e-02 5.50 -6.330308294e-02 -6.330308294e-02 5.52 -6.069673974e-02 -6.069673974e-02 5.54 -5.815075171e-02 -5.815075171e-02 5.56 -5.566184271e-02 -5.566184271e-02 5.58 -5.322710192e-02 -5.322710192e-02 5.60 -5.084403071e-02 -5.084403071e-02 5.62 -4.851061853e-02 -4.851061853e-02 5.64 -4.622542848e-02 -4.622542848e-02 5.66 -4.398768510e-02 -4.398768510e-02 5.68 -4.179735092e-02 -4.179735092e-02 5.70 -3.965517777e-02 -3.965517777e-02 5.72 -3.756271993e-02 -3.756271993e-02 5.74 -3.552229824e-02 -3.552229824e-02 5.76 -3.353687930e-02 -3.353687930e-02 5.78 -3.160962554e-02 -3.160962554e-02 5.80 -2.974387841e-02 -2.974387841e-02 5.82 -2.794394537e-02 -2.794394537e-02 5.84 -2.621396380e-02 -2.621396380e-02 5.86 -2.455762217e-02 -2.455762217e-02 5.88 -2.297793327e-02 -2.297793327e-02 5.90 -2.147705203e-02 -2.147705203e-02 5.92 -2.005615181e-02 -2.005615181e-02 5.94 -1.871536651e-02 -1.871536651e-02 5.96 -1.745379869e-02 -1.745379869e-02 5.98 -1.626958727e-02 -1.626958727e-02 6.00 -1.516002366e-02 -1.516002366e-02