# 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 = Mg2PdW # 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 4.547865954e+02 4.547865954e+02 1.30 4.212218659e+02 4.212218659e+02 1.32 3.901686238e+02 3.901686238e+02 1.34 3.614377325e+02 3.614377325e+02 1.36 3.348547184e+02 3.348547184e+02 1.38 3.102547496e+02 3.102547496e+02 1.40 2.874806988e+02 2.874806988e+02 1.42 2.663842915e+02 2.663842915e+02 1.44 2.468285855e+02 2.468285855e+02 1.46 2.286895085e+02 2.286895085e+02 1.48 2.118555336e+02 2.118555336e+02 1.50 1.962261681e+02 1.962261681e+02 1.52 1.817102885e+02 1.817102885e+02 1.54 1.682247888e+02 1.682247888e+02 1.56 1.556935566e+02 1.556935566e+02 1.58 1.440466451e+02 1.440466451e+02 1.60 1.332196342e+02 1.332196342e+02 1.62 1.231532260e+02 1.231532260e+02 1.64 1.137930326e+02 1.137930326e+02 1.66 1.050893663e+02 1.050893663e+02 1.68 9.699736579e+01 9.699736579e+01 1.70 8.947582318e+01 8.947582318e+01 1.72 8.248634760e+01 8.248634760e+01 1.74 7.600226199e+01 7.600226199e+01 1.76 6.999952125e+01 6.999952125e+01 1.78 6.444285087e+01 6.444285087e+01 1.80 5.929855471e+01 5.929855471e+01 1.82 5.453492228e+01 5.453492228e+01 1.84 5.012219234e+01 5.012219234e+01 1.86 4.603282839e+01 4.603282839e+01 1.88 4.224171324e+01 4.224171324e+01 1.90 3.872619385e+01 3.872619385e+01 1.92 3.546595941e+01 3.546595941e+01 1.94 3.244278822e+01 3.244278822e+01 1.96 2.964022802e+01 2.964022802e+01 1.98 2.704326379e+01 2.704326379e+01 2.00 2.463801352e+01 2.463801352e+01 2.02 2.241147671e+01 2.241147671e+01 2.04 2.035134910e+01 2.035134910e+01 2.06 1.844590337e+01 1.844590337e+01 2.08 1.668392885e+01 1.668392885e+01 2.10 1.505472610e+01 1.505472610e+01 2.12 1.354814540e+01 1.354814540e+01 2.14 1.215465604e+01 1.215465604e+01 2.16 1.086542326e+01 1.086542326e+01 2.18 9.672364365e+00 9.672364365e+00 2.20 8.568167661e+00 8.568167661e+00 2.22 7.546285192e+00 7.546285192e+00 2.24 6.600936093e+00 6.600936093e+00 2.26 5.726688884e+00 5.726688884e+00 2.28 4.918623173e+00 4.918623173e+00 2.30 4.172287504e+00 4.172287504e+00 2.32 3.483602480e+00 3.483602480e+00 2.34 2.848785030e+00 2.848785030e+00 2.36 2.264348720e+00 2.264348720e+00 2.38 1.727283856e+00 1.727283856e+00 2.40 1.234723966e+00 1.234723966e+00 2.42 7.838381510e-01 7.838381510e-01 2.44 3.718553425e-01 3.718553425e-01 2.46 -3.915068436e-03 -3.915068436e-03 2.48 -3.460616420e-01 -3.460616420e-01 2.50 -6.570478732e-01 -6.570478732e-01 2.52 -9.391880608e-01 -9.391880608e-01 2.54 -1.194625530e+00 -1.194625530e+00 2.56 -1.425318611e+00 -1.425318611e+00 2.58 -1.633038885e+00 -1.633038885e+00 2.60 -1.819382522e+00 -1.819382522e+00 2.62 -1.985791000e+00 -1.985791000e+00 2.64 -2.133577768e+00 -2.133577768e+00 2.66 -2.264006030e+00 -2.264006030e+00 2.68 -2.378575069e+00 -2.378575069e+00 2.70 -2.478207889e+00 -2.478207889e+00 2.72 -2.563684821e+00 -2.563684821e+00 2.74 -2.635763011e+00 -2.635763011e+00 2.76 -2.695174255e+00 -2.695174255e+00 2.78 -2.742623515e+00 -2.742623515e+00 2.80 -2.778796226e+00 -2.778796226e+00 2.82 -2.804425107e+00 -2.804425107e+00 2.84 -2.820271656e+00 -2.820271656e+00 2.86 -2.827082150e+00 -2.827082150e+00 2.88 -2.825597761e+00 -2.825597761e+00 2.90 -2.816563772e+00 -2.816563772e+00 2.92 -2.800734681e+00 -2.800734681e+00 2.94 -2.778873614e+00 -2.778873614e+00 2.96 -2.751745561e+00 -2.751745561e+00 2.98 -2.720105295e+00 -2.720105295e+00 3.00 -2.684681875e+00 -2.684681875e+00 3.02 -2.646162154e+00 -2.646162154e+00 3.04 -2.605175328e+00 -2.605175328e+00 3.06 -2.562281825e+00 -2.562281825e+00 3.08 -2.517963529e+00 -2.517963529e+00 3.10 -2.472621567e+00 -2.472621567e+00 3.12 -2.426576575e+00 -2.426576575e+00 3.14 -2.380076057e+00 -2.380076057e+00 3.16 -2.333299386e+00 -2.333299386e+00 3.18 -2.286370974e+00 -2.286370974e+00 3.20 -2.239371453e+00 -2.239371453e+00 3.22 -2.192349698e+00 -2.192349698e+00 3.24 -2.145334177e+00 -2.145334177e+00 3.26 -2.098342933e+00 -2.098342933e+00 3.28 -2.051391659e+00 -2.051391659e+00 3.30 -2.004499566e+00 -2.004499566e+00 3.32 -1.957743178e+00 -1.957743178e+00 3.34 -1.911136865e+00 -1.911136865e+00 3.36 -1.864634425e+00 -1.864634425e+00 3.38 -1.818216226e+00 -1.818216226e+00 3.40 -1.771890050e+00 -1.771890050e+00 3.42 -1.725684332e+00 -1.725684332e+00 3.44 -1.679499274e+00 -1.679499274e+00 3.46 -1.633151587e+00 -1.633151587e+00 3.48 -1.586546752e+00 -1.586546752e+00 3.50 -1.539680451e+00 -1.539680451e+00 3.52 -1.492627855e+00 -1.492627855e+00 3.54 -1.445528300e+00 -1.445528300e+00 3.56 -1.398566828e+00 -1.398566828e+00 3.58 -1.351954515e+00 -1.351954515e+00 3.60 -1.305909592e+00 -1.305909592e+00 3.62 -1.260641028e+00 -1.260641028e+00 3.64 -1.216335760e+00 -1.216335760e+00 3.66 -1.173150064e+00 -1.173150064e+00 3.68 -1.131205022e+00 -1.131205022e+00 3.70 -1.090585570e+00 -1.090585570e+00 3.72 -1.051342356e+00 -1.051342356e+00 3.74 -1.013495558e+00 -1.013495558e+00 3.76 -9.770398267e-01 -9.770398267e-01 3.78 -9.419496703e-01 -9.419496703e-01 3.80 -9.081847106e-01 -9.081847106e-01 3.82 -8.756944422e-01 -8.756944422e-01 3.84 -8.444222486e-01 -8.444222486e-01 3.86 -8.143085767e-01 -8.143085767e-01 3.88 -7.852932878e-01 -7.852932878e-01 3.90 -7.573173001e-01 -7.573173001e-01 3.92 -7.303234968e-01 -7.303234968e-01 3.94 -7.042583944e-01 -7.042583944e-01 3.96 -6.790714158e-01 -6.790714158e-01 3.98 -6.547165018e-01 -6.547165018e-01 4.00 -6.311524987e-01 -6.311524987e-01 4.02 -6.083437770e-01 -6.083437770e-01 4.04 -5.862607162e-01 -5.862607162e-01 4.06 -5.648799328e-01 -5.648799328e-01 4.08 -5.441841360e-01 -5.441841360e-01 4.10 -5.241608914e-01 -5.241608914e-01 4.12 -5.048043224e-01 -5.048043224e-01 4.14 -4.861093621e-01 -4.861093621e-01 4.16 -4.680731506e-01 -4.680731506e-01 4.18 -4.506924902e-01 -4.506924902e-01 4.20 -4.339622535e-01 -4.339622535e-01 4.22 -4.178741073e-01 -4.178741073e-01 4.24 -4.024156720e-01 -4.024156720e-01 4.26 -3.875701660e-01 -3.875701660e-01 4.28 -3.733165090e-01 -3.733165090e-01 4.30 -3.596297970e-01 -3.596297970e-01 4.32 -3.464820307e-01 -3.464820307e-01 4.34 -3.338429725e-01 -3.338429725e-01 4.36 -3.216810212e-01 -3.216810212e-01 4.38 -3.099640248e-01 -3.099640248e-01 4.40 -2.986599828e-01 -2.986599828e-01 4.42 -2.877376201e-01 -2.877376201e-01 4.44 -2.771668382e-01 -2.771668382e-01 4.46 -2.669190634e-01 -2.669190634e-01 4.48 -2.569675207e-01 -2.569675207e-01 4.50 -2.472874626e-01 -2.472874626e-01 4.52 -2.378563805e-01 -2.378563805e-01 4.54 -2.286542174e-01 -2.286542174e-01 4.56 -2.196635959e-01 -2.196635959e-01 4.58 -2.108700626e-01 -2.108700626e-01 4.60 -2.022623396e-01 -2.022623396e-01 4.62 -1.938325640e-01 -1.938325640e-01 4.64 -1.855764842e-01 -1.855764842e-01 4.66 -1.774935760e-01 -1.774935760e-01 4.68 -1.695870356e-01 -1.695870356e-01 4.70 -1.618636100e-01 -1.618636100e-01 4.72 -1.543332357e-01 -1.543332357e-01 4.74 -1.470084711e-01 -1.470084711e-01 4.76 -1.399037355e-01 -1.399037355e-01 4.78 -1.330343899e-01 -1.330343899e-01 4.80 -1.264153243e-01 -1.264153243e-01 4.82 -1.200616022e-01 -1.200616022e-01 4.84 -1.139848863e-01 -1.139848863e-01 4.86 -1.081944851e-01 -1.081944851e-01 4.88 -1.026962972e-01 -1.026962972e-01 4.90 -9.749250070e-02 -9.749250070e-02 4.92 -9.258151141e-02 -9.258151141e-02 4.94 -8.795815923e-02 -8.795815923e-02 4.96 -8.361407399e-02 -8.361407399e-02 4.98 -7.953821119e-02 -7.953821119e-02 5.00 -7.571744055e-02 -7.571744055e-02 5.02 -7.213715052e-02 -7.213715052e-02 5.04 -6.878182347e-02 -6.878182347e-02 5.06 -6.563554948e-02 -6.563554948e-02 5.08 -6.268191282e-02 -6.268191282e-02 5.10 -5.990526213e-02 -5.990526213e-02 5.12 -5.729115005e-02 -5.729115005e-02 5.14 -5.482582401e-02 -5.482582401e-02 5.16 -5.249638997e-02 -5.249638997e-02 5.18 -5.029091013e-02 -5.029091013e-02 5.20 -4.819844972e-02 -4.819844972e-02 5.22 -4.620908739e-02 -4.620908739e-02 5.24 -4.431390051e-02 -4.431390051e-02 5.26 -4.250493456e-02 -4.250493456e-02 5.28 -4.077516304e-02 -4.077516304e-02 5.30 -3.911844203e-02 -3.911844203e-02 5.32 -3.752946154e-02 -3.752946154e-02 5.34 -3.600369409e-02 -3.600369409e-02 5.36 -3.453733942e-02 -3.453733942e-02 5.38 -3.312726451e-02 -3.312726451e-02 5.40 -3.177093590e-02 -3.177093590e-02 5.42 -3.046634353e-02 -3.046634353e-02 5.44 -2.921191569e-02 -2.921191569e-02 5.46 -2.800642609e-02 -2.800642609e-02 5.48 -2.684889559e-02 -2.684889559e-02 5.50 -2.573849300e-02 -2.573849300e-02 5.52 -2.467444007e-02 -2.467444007e-02 5.54 -2.365592655e-02 -2.365592655e-02 5.56 -2.268204033e-02 -2.268204033e-02 5.58 -2.175171652e-02 -2.175171652e-02 5.60 -2.086370724e-02 -2.086370724e-02 5.62 -2.001657190e-02 -2.001657190e-02 5.64 -1.920868562e-02 -1.920868562e-02 5.66 -1.843826212e-02 -1.843826212e-02 5.68 -1.770338641e-02 -1.770338641e-02 5.70 -1.700205298e-02 -1.700205298e-02 5.72 -1.633220495e-02 -1.633220495e-02 5.74 -1.569177089e-02 -1.569177089e-02 5.76 -1.507867456e-02 -1.507867456e-02 5.78 -1.449089941e-02 -1.449089941e-02 5.80 -1.392651113e-02 -1.392651113e-02 5.82 -1.338365608e-02 -1.338365608e-02 5.84 -1.286057126e-02 -1.286057126e-02 5.86 -1.235559019e-02 -1.235559019e-02 5.88 -1.186714555e-02 -1.186714555e-02 5.90 -1.139376988e-02 -1.139376988e-02 5.92 -1.093409498e-02 -1.093409498e-02 5.94 -1.048685121e-02 -1.048685121e-02 5.96 -1.005086715e-02 -1.005086715e-02 5.98 -9.625070213e-03 -9.625070213e-03 6.00 -9.208488679e-03 -9.208488679e-03