# 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 = AgAlMo2 # 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 2.360086401e+02 2.360086401e+02 1.30 2.188187912e+02 2.188187912e+02 1.32 2.029024455e+02 2.029024455e+02 1.34 1.881513402e+02 1.881513402e+02 1.36 1.744671637e+02 1.744671637e+02 1.38 1.617619458e+02 1.617619458e+02 1.40 1.499574687e+02 1.499574687e+02 1.42 1.389837014e+02 1.389837014e+02 1.44 1.287769629e+02 1.287769629e+02 1.46 1.192786302e+02 1.192786302e+02 1.48 1.104348831e+02 1.104348831e+02 1.50 1.021971854e+02 1.021971854e+02 1.52 9.452258617e+01 9.452258617e+01 1.54 8.737323560e+01 8.737323560e+01 1.56 8.071531235e+01 8.071531235e+01 1.58 7.451787262e+01 7.451787262e+01 1.60 6.875189184e+01 6.875189184e+01 1.62 6.338953106e+01 6.338953106e+01 1.64 5.840363824e+01 5.840363824e+01 1.66 5.376755465e+01 5.376755465e+01 1.68 4.945528888e+01 4.945528888e+01 1.70 4.544199018e+01 4.544199018e+01 1.72 4.170596441e+01 4.170596441e+01 1.74 3.823008198e+01 3.823008198e+01 1.76 3.499506086e+01 3.499506086e+01 1.78 3.198415473e+01 3.198415473e+01 1.80 2.918476548e+01 2.918476548e+01 1.82 2.658354968e+01 2.658354968e+01 1.84 2.416767379e+01 2.416767379e+01 1.86 2.192548629e+01 2.192548629e+01 1.88 1.984627445e+01 1.984627445e+01 1.90 1.792000818e+01 1.792000818e+01 1.92 1.613710062e+01 1.613710062e+01 1.94 1.448822791e+01 1.448822791e+01 1.96 1.296424496e+01 1.296424496e+01 1.98 1.155620374e+01 1.155620374e+01 2.00 1.025544425e+01 1.025544425e+01 2.02 9.053704648e+00 9.053704648e+00 2.04 7.943197916e+00 7.943197916e+00 2.06 6.916626703e+00 6.916626703e+00 2.08 5.967148490e+00 5.967148490e+00 2.10 5.088332799e+00 5.088332799e+00 2.12 4.274151082e+00 4.274151082e+00 2.14 3.519012282e+00 3.519012282e+00 2.16 2.817826722e+00 2.817826722e+00 2.18 2.166065941e+00 2.166065941e+00 2.20 1.559790014e+00 1.559790014e+00 2.22 9.956290998e-01 9.956290998e-01 2.24 4.707230219e-01 4.707230219e-01 2.26 -1.736543945e-02 -1.736543945e-02 2.28 -4.707442981e-01 -4.707442981e-01 2.30 -8.912773758e-01 -8.912773758e-01 2.32 -1.280652194e+00 -1.280652194e+00 2.34 -1.640428945e+00 -1.640428945e+00 2.36 -1.972073537e+00 -1.972073537e+00 2.38 -2.276978997e+00 -2.276978997e+00 2.40 -2.556479430e+00 -2.556479430e+00 2.42 -2.811859526e+00 -2.811859526e+00 2.44 -3.044361322e+00 -3.044361322e+00 2.46 -3.255189088e+00 -3.255189088e+00 2.48 -3.445422094e+00 -3.445422094e+00 2.50 -3.616023041e+00 -3.616023041e+00 2.52 -3.768333201e+00 -3.768333201e+00 2.54 -3.903670930e+00 -3.903670930e+00 2.56 -4.023312828e+00 -4.023312828e+00 2.58 -4.128500534e+00 -4.128500534e+00 2.60 -4.220436496e+00 -4.220436496e+00 2.62 -4.300265345e+00 -4.300265345e+00 2.64 -4.369002875e+00 -4.369002875e+00 2.66 -4.427186277e+00 -4.427186277e+00 2.68 -4.475108881e+00 -4.475108881e+00 2.70 -4.513036839e+00 -4.513036839e+00 2.72 -4.541209212e+00 -4.541209212e+00 2.74 -4.559846474e+00 -4.559846474e+00 2.76 -4.569164882e+00 -4.569164882e+00 2.78 -4.569391886e+00 -4.569391886e+00 2.80 -4.560779797e+00 -4.560779797e+00 2.82 -4.543617008e+00 -4.543617008e+00 2.84 -4.518257083e+00 -4.518257083e+00 2.86 -4.485656721e+00 -4.485656721e+00 2.88 -4.446328402e+00 -4.446328402e+00 2.90 -4.400550419e+00 -4.400550419e+00 2.92 -4.348707986e+00 -4.348707986e+00 2.94 -4.291286226e+00 -4.291286226e+00 2.96 -4.228857665e+00 -4.228857665e+00 2.98 -4.162063340e+00 -4.162063340e+00 3.00 -4.091587864e+00 -4.091587864e+00 3.02 -4.018137246e+00 -4.018137246e+00 3.04 -3.942414874e+00 -3.942414874e+00 3.06 -3.865157032e+00 -3.865157032e+00 3.08 -3.786916547e+00 -3.786916547e+00 3.10 -3.708054433e+00 -3.708054433e+00 3.12 -3.628825956e+00 -3.628825956e+00 3.14 -3.549375130e+00 -3.549375130e+00 3.16 -3.469739124e+00 -3.469739124e+00 3.18 -3.389861442e+00 -3.389861442e+00 3.20 -3.309612146e+00 -3.309612146e+00 3.22 -3.228820458e+00 -3.228820458e+00 3.24 -3.147297400e+00 -3.147297400e+00 3.26 -3.064852587e+00 -3.064852587e+00 3.28 -2.981317573e+00 -2.981317573e+00 3.30 -2.896567159e+00 -2.896567159e+00 3.32 -2.810537905e+00 -2.810537905e+00 3.34 -2.723243226e+00 -2.723243226e+00 3.36 -2.634784286e+00 -2.634784286e+00 3.38 -2.545355745e+00 -2.545355745e+00 3.40 -2.455245426e+00 -2.455245426e+00 3.42 -2.364827274e+00 -2.364827274e+00 3.44 -2.274547470e+00 -2.274547470e+00 3.46 -2.184904425e+00 -2.184904425e+00 3.48 -2.096424148e+00 -2.096424148e+00 3.50 -2.009633190e+00 -2.009633190e+00 3.52 -1.925031810e+00 -1.925031810e+00 3.54 -1.843069920e+00 -1.843069920e+00 3.56 -1.764127976e+00 -1.764127976e+00 3.58 -1.688504194e+00 -1.688504194e+00 3.60 -1.616408565e+00 -1.616408565e+00 3.62 -1.547963288e+00 -1.547963288e+00 3.64 -1.483208580e+00 -1.483208580e+00 3.66 -1.422112407e+00 -1.422112407e+00 3.68 -1.364582590e+00 -1.364582590e+00 3.70 -1.310479841e+00 -1.310479841e+00 3.72 -1.259630565e+00 -1.259630565e+00 3.74 -1.211838564e+00 -1.211838564e+00 3.76 -1.166895140e+00 -1.166895140e+00 3.78 -1.124587366e+00 -1.124587366e+00 3.80 -1.084704500e+00 -1.084704500e+00 3.82 -1.047042683e+00 -1.047042683e+00 3.84 -1.011408139e+00 -1.011408139e+00 3.86 -9.776191387e-01 -9.776191387e-01 3.88 -9.455069735e-01 -9.455069735e-01 3.90 -9.149162042e-01 -9.149162042e-01 3.92 -8.857043752e-01 -8.857043752e-01 3.94 -8.577414039e-01 -8.577414039e-01 3.96 -8.309087319e-01 -8.309087319e-01 3.98 -8.050984334e-01 -8.050984334e-01 4.00 -7.802123090e-01 -7.802123090e-01 4.02 -7.561610618e-01 -7.561610618e-01 4.04 -7.328636043e-01 -7.328636043e-01 4.06 -7.102465349e-01 -7.102465349e-01 4.08 -6.882438135e-01 -6.882438135e-01 4.10 -6.667966348e-01 -6.667966348e-01 4.12 -6.458535791e-01 -6.458535791e-01 4.14 -6.253708130e-01 -6.253708130e-01 4.16 -6.053125766e-01 -6.053125766e-01 4.18 -5.856516650e-01 -5.856516650e-01 4.20 -5.663698913e-01 -5.663698913e-01 4.22 -5.474583860e-01 -5.474583860e-01 4.24 -5.289175910e-01 -5.289175910e-01 4.26 -5.107568118e-01 -5.107568118e-01 4.28 -4.929932220e-01 -4.929932220e-01 4.30 -4.756502803e-01 -4.756502803e-01 4.32 -4.587555996e-01 -4.587555996e-01 4.34 -4.423383969e-01 -4.423383969e-01 4.36 -4.264267497e-01 -4.264267497e-01 4.38 -4.110449206e-01 -4.110449206e-01 4.40 -3.962110248e-01 -3.962110248e-01 4.42 -3.819352767e-01 -3.819352767e-01 4.44 -3.682189382e-01 -3.682189382e-01 4.46 -3.550540086e-01 -3.550540086e-01 4.48 -3.424233792e-01 -3.424233792e-01 4.50 -3.303022524e-01 -3.303022524e-01 4.52 -3.186592734e-01 -3.186592734e-01 4.54 -3.074577959e-01 -3.074577959e-01 4.56 -2.966574047e-01 -2.966574047e-01 4.58 -2.862153488e-01 -2.862153488e-01 4.60 -2.760878087e-01 -2.760878087e-01 4.62 -2.662308401e-01 -2.662308401e-01 4.64 -2.566013646e-01 -2.566013646e-01 4.66 -2.471583577e-01 -2.471583577e-01 4.68 -2.378629446e-01 -2.378629446e-01 4.70 -2.286790028e-01 -2.286790028e-01 4.72 -2.195737471e-01 -2.195737471e-01 4.74 -2.105183099e-01 -2.105183099e-01 4.76 -2.014883459e-01 -2.014883459e-01 4.78 -1.924646677e-01 -1.924646677e-01 4.80 -1.834338986e-01 -1.834338986e-01 4.82 -1.743891453e-01 -1.743891453e-01 4.84 -1.653305446e-01 -1.653305446e-01 4.86 -1.562657478e-01 -1.562657478e-01 4.88 -1.472101602e-01 -1.472101602e-01 4.90 -1.381868967e-01 -1.381868967e-01 4.92 -1.292263742e-01 -1.292263742e-01 4.94 -1.203654918e-01 -1.203654918e-01 4.96 -1.116463857e-01 -1.116463857e-01 4.98 -1.031147951e-01 -1.031147951e-01 5.00 -9.481811926e-02 -9.481811926e-02 5.02 -8.680329730e-02 -8.680329730e-02 5.04 -7.911466847e-02 -7.911466847e-02 5.06 -7.179198438e-02 -7.179198438e-02 5.08 -6.486873078e-02 -6.486873078e-02 5.10 -5.837088245e-02 -5.837088245e-02 5.12 -5.231616424e-02 -5.231616424e-02 5.14 -4.671383210e-02 -4.671383210e-02 5.16 -4.156495115e-02 -4.156495115e-02 5.18 -3.686306941e-02 -3.686306941e-02 5.20 -3.259518945e-02 -3.259518945e-02 5.22 -2.874292621e-02 -2.874292621e-02 5.24 -2.528373808e-02 -2.528373808e-02 5.26 -2.219216383e-02 -2.219216383e-02 5.28 -1.944095048e-02 -1.944095048e-02 5.30 -1.700202497e-02 -1.700202497e-02 5.32 -1.484693203e-02 -1.484693203e-02 5.34 -1.294847028e-02 -1.294847028e-02 5.36 -1.128074492e-02 -1.128074492e-02 5.38 -9.819243395e-03 -9.819243395e-03 5.40 -8.541111511e-03 -8.541111511e-03 5.42 -7.425306067e-03 -7.425306067e-03 5.44 -6.452651680e-03 -6.452651680e-03 5.46 -5.605826295e-03 -5.605826295e-03 5.48 -4.869296064e-03 -4.869296064e-03 5.50 -4.229216387e-03 -4.229216387e-03 5.52 -3.673312338e-03 -3.673312338e-03 5.54 -3.190748534e-03 -3.190748534e-03 5.56 -2.771995842e-03 -2.771995842e-03 5.58 -2.408700176e-03 -2.408700176e-03 5.60 -2.093556923e-03 -2.093556923e-03 5.62 -1.820193222e-03 -1.820193222e-03 5.64 -1.583059367e-03 -1.583059367e-03 5.66 -1.377329859e-03 -1.377329859e-03 5.68 -1.198814145e-03 -1.198814145e-03 5.70 -1.043876760e-03 -1.043876760e-03 5.72 -9.093663460e-04 -9.093663460e-04 5.74 -7.925528946e-04 -7.925528946e-04 5.76 -6.910725281e-04 -6.910725281e-04 5.78 -6.028790826e-04 -6.028790826e-04 5.80 -5.262017918e-04 -5.262017918e-04 5.82 -4.595083970e-04 -4.595083970e-04 5.84 -4.014730566e-04 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