# 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 = Pb2PtTi # 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 4.322773533e+02 4.322773533e+02 1.30 4.045507284e+02 4.045507284e+02 1.32 3.786796771e+02 3.786796771e+02 1.34 3.545245936e+02 3.545245936e+02 1.36 3.319588773e+02 3.319588773e+02 1.38 3.108649724e+02 3.108649724e+02 1.40 2.911335296e+02 2.911335296e+02 1.42 2.726643761e+02 2.726643761e+02 1.44 2.553667454e+02 2.553667454e+02 1.46 2.391582268e+02 2.391582268e+02 1.48 2.239635536e+02 2.239635536e+02 1.50 2.097137284e+02 2.097137284e+02 1.52 1.963448719e+02 1.963448719e+02 1.54 1.837967149e+02 1.837967149e+02 1.56 1.720116066e+02 1.720116066e+02 1.58 1.609346895e+02 1.609346895e+02 1.60 1.505149288e+02 1.505149288e+02 1.62 1.407060749e+02 1.407060749e+02 1.64 1.314669225e+02 1.314669225e+02 1.66 1.227609481e+02 1.227609481e+02 1.68 1.145558106e+02 1.145558106e+02 1.70 1.068228516e+02 1.068228516e+02 1.72 9.953637542e+01 9.953637542e+01 1.74 9.267247938e+01 9.267247938e+01 1.76 8.620780594e+01 8.620780594e+01 1.78 8.011882209e+01 8.011882209e+01 1.80 7.440039995e+01 7.440039995e+01 1.82 6.907622361e+01 6.907622361e+01 1.84 6.412026213e+01 6.412026213e+01 1.86 5.950324278e+01 5.950324278e+01 1.88 5.519877163e+01 5.519877163e+01 1.90 5.118327562e+01 5.118327562e+01 1.92 4.743583587e+01 4.743583587e+01 1.94 4.393787500e+01 4.393787500e+01 1.96 4.067271636e+01 4.067271636e+01 1.98 3.762508325e+01 3.762508325e+01 2.00 3.478069855e+01 3.478069855e+01 2.02 3.212607481e+01 3.212607481e+01 2.04 2.964846324e+01 2.964846324e+01 2.06 2.733588146e+01 2.733588146e+01 2.08 2.517715493e+01 2.517715493e+01 2.10 2.316192892e+01 2.316192892e+01 2.12 2.128064639e+01 2.128064639e+01 2.14 1.952449189e+01 1.952449189e+01 2.16 1.788532004e+01 1.788532004e+01 2.18 1.635559208e+01 1.635559208e+01 2.20 1.492831979e+01 1.492831979e+01 2.22 1.359702222e+01 1.359702222e+01 2.24 1.235567914e+01 1.235567914e+01 2.26 1.119868131e+01 1.119868131e+01 2.28 1.012078372e+01 1.012078372e+01 2.30 9.117056672e+00 9.117056672e+00 2.32 8.182848945e+00 8.182848945e+00 2.34 7.313756736e+00 7.313756736e+00 2.36 6.505592633e+00 6.505592633e+00 2.38 5.754363656e+00 5.754363656e+00 2.40 5.056259482e+00 5.056259482e+00 2.42 4.407655609e+00 4.407655609e+00 2.44 3.805128490e+00 3.805128490e+00 2.46 3.245480463e+00 3.245480463e+00 2.48 2.725761519e+00 2.725761519e+00 2.50 2.243278411e+00 2.243278411e+00 2.52 1.795584742e+00 1.795584742e+00 2.54 1.380453698e+00 1.380453698e+00 2.56 9.958390030e-01 9.958390030e-01 2.58 6.390228773e-01 6.390228773e-01 2.60 3.078239692e-01 3.078239692e-01 2.62 8.927312963e-04 8.927312963e-04 2.64 -2.830790371e-01 -2.830790371e-01 2.66 -5.453472913e-01 -5.453472913e-01 2.68 -7.871152760e-01 -7.871152760e-01 2.70 -1.009530288e+00 -1.009530288e+00 2.72 -1.213720609e+00 -1.213720609e+00 2.74 -1.400704270e+00 -1.400704270e+00 2.76 -1.571416538e+00 -1.571416538e+00 2.78 -1.726745173e+00 -1.726745173e+00 2.80 -1.867532297e+00 -1.867532297e+00 2.82 -1.994577192e+00 -1.994577192e+00 2.84 -2.108643002e+00 -2.108643002e+00 2.86 -2.210465374e+00 -2.210465374e+00 2.88 -2.300763162e+00 -2.300763162e+00 2.90 -2.380233067e+00 -2.380233067e+00 2.92 -2.449519633e+00 -2.449519633e+00 2.94 -2.509278000e+00 -2.509278000e+00 2.96 -2.560187253e+00 -2.560187253e+00 2.98 -2.602940939e+00 -2.602940939e+00 3.00 -2.638231514e+00 -2.638231514e+00 3.02 -2.666731085e+00 -2.666731085e+00 3.04 -2.689071740e+00 -2.689071740e+00 3.06 -2.705832033e+00 -2.705832033e+00 3.08 -2.717525760e+00 -2.717525760e+00 3.10 -2.724603348e+00 -2.724603348e+00 3.12 -2.727456112e+00 -2.727456112e+00 3.14 -2.726432081e+00 -2.726432081e+00 3.16 -2.721838359e+00 -2.721838359e+00 3.18 -2.713957028e+00 -2.713957028e+00 3.20 -2.703049790e+00 -2.703049790e+00 3.22 -2.689360788e+00 -2.689360788e+00 3.24 -2.673116734e+00 -2.673116734e+00 3.26 -2.654525789e+00 -2.654525789e+00 3.28 -2.633776614e+00 -2.633776614e+00 3.30 -2.611038546e+00 -2.611038546e+00 3.32 -2.586463192e+00 -2.586463192e+00 3.34 -2.560187140e+00 -2.560187140e+00 3.36 -2.532335243e+00 -2.532335243e+00 3.38 -2.503023908e+00 -2.503023908e+00 3.40 -2.472363792e+00 -2.472363792e+00 3.42 -2.440478095e+00 -2.440478095e+00 3.44 -2.407571353e+00 -2.407571353e+00 3.46 -2.373770089e+00 -2.373770089e+00 3.48 -2.339175373e+00 -2.339175373e+00 3.50 -2.303889283e+00 -2.303889283e+00 3.52 -2.268014761e+00 -2.268014761e+00 3.54 -2.231654676e+00 -2.231654676e+00 3.56 -2.194910103e+00 -2.194910103e+00 3.58 -2.157878014e+00 -2.157878014e+00 3.60 -2.120648786e+00 -2.120648786e+00 3.62 -2.083302507e+00 -2.083302507e+00 3.64 -2.045899107e+00 -2.045899107e+00 3.66 -2.008484137e+00 -2.008484137e+00 3.68 -1.971096234e+00 -1.971096234e+00 3.70 -1.933768144e+00 -1.933768144e+00 3.72 -1.896528206e+00 -1.896528206e+00 3.74 -1.859401760e+00 -1.859401760e+00 3.76 -1.822412179e+00 -1.822412179e+00 3.78 -1.785581402e+00 -1.785581402e+00 3.80 -1.748930033e+00 -1.748930033e+00 3.82 -1.712477134e+00 -1.712477134e+00 3.84 -1.676239914e+00 -1.676239914e+00 3.86 -1.640233438e+00 -1.640233438e+00 3.88 -1.604470475e+00 -1.604470475e+00 3.90 -1.568961519e+00 -1.568961519e+00 3.92 -1.533714399e+00 -1.533714399e+00 3.94 -1.498736963e+00 -1.498736963e+00 3.96 -1.464033854e+00 -1.464033854e+00 3.98 -1.429609686e+00 -1.429609686e+00 4.00 -1.395469104e+00 -1.395469104e+00 4.02 -1.361617653e+00 -1.361617653e+00 4.04 -1.328062802e+00 -1.328062802e+00 4.06 -1.294815037e+00 -1.294815037e+00 4.08 -1.261888976e+00 -1.261888976e+00 4.10 -1.229302495e+00 -1.229302495e+00 4.12 -1.197085228e+00 -1.197085228e+00 4.14 -1.165266540e+00 -1.165266540e+00 4.16 -1.133883779e+00 -1.133883779e+00 4.18 -1.102978896e+00 -1.102978896e+00 4.20 -1.072596618e+00 -1.072596618e+00 4.22 -1.042782035e+00 -1.042782035e+00 4.24 -1.013577807e+00 -1.013577807e+00 4.26 -9.850213345e-01 -9.850213345e-01 4.28 -9.571422481e-01 -9.571422481e-01 4.30 -9.299604983e-01 -9.299604983e-01 4.32 -9.034852721e-01 -9.034852721e-01 4.34 -8.777147850e-01 -8.777147850e-01 4.36 -8.526368818e-01 -8.526368818e-01 4.38 -8.282302696e-01 -8.282302696e-01 4.40 -8.044661532e-01 -8.044661532e-01 4.42 -7.813100394e-01 -7.813100394e-01 4.44 -7.587235099e-01 -7.587235099e-01 4.46 -7.366658216e-01 -7.366658216e-01 4.48 -7.150952573e-01 -7.150952573e-01 4.50 -6.939702053e-01 -6.939702053e-01 4.52 -6.732499932e-01 -6.732499932e-01 4.54 -6.528955281e-01 -6.528955281e-01 4.56 -6.328698102e-01 -6.328698102e-01 4.58 -6.131383886e-01 -6.131383886e-01 4.60 -5.936698206e-01 -5.936698206e-01 4.62 -5.744361839e-01 -5.744361839e-01 4.64 -5.554136686e-01 -5.554136686e-01 4.66 -5.365832585e-01 -5.365832585e-01 4.68 -5.179314806e-01 -5.179314806e-01 4.70 -4.994511803e-01 -4.994511803e-01 4.72 -4.811422521e-01 -4.811422521e-01 4.74 -4.630122318e-01 -4.630122318e-01 4.76 -4.450766473e-01 -4.450766473e-01 4.78 -4.273590201e-01 -4.273590201e-01 4.80 -4.098889947e-01 -4.098889947e-01 4.82 -3.927073460e-01 -3.927073460e-01 4.84 -3.758552536e-01 -3.758552536e-01 4.86 -3.593788739e-01 -3.593788739e-01 4.88 -3.433254261e-01 -3.433254261e-01 4.90 -3.277408154e-01 -3.277408154e-01 4.92 -3.126673021e-01 -3.126673021e-01 4.94 -2.981414219e-01 -2.981414219e-01 4.96 -2.841923334e-01 -2.841923334e-01 4.98 -2.708407131e-01 -2.708407131e-01 5.00 -2.580982517e-01 -2.580982517e-01 5.02 -2.459677349e-01 -2.459677349e-01 5.04 -2.344436362e-01 -2.344436362e-01 5.06 -2.235131062e-01 -2.235131062e-01 5.08 -2.131572272e-01 -2.131572272e-01 5.10 -2.033524020e-01 -2.033524020e-01 5.12 -1.940717575e-01 -1.940717575e-01 5.14 -1.852864697e-01 -1.852864697e-01 5.16 -1.769669390e-01 -1.769669390e-01 5.18 -1.690837718e-01 -1.690837718e-01 5.20 -1.616085451e-01 -1.616085451e-01 5.22 -1.545143497e-01 -1.545143497e-01 5.24 -1.477761222e-01 -1.477761222e-01 5.26 -1.413707876e-01 -1.413707876e-01 5.28 -1.352772424e-01 -1.352772424e-01 5.30 -1.294762145e-01 -1.294762145e-01 5.32 -1.239500362e-01 -1.239500362e-01 5.34 -1.186823705e-01 -1.186823705e-01 5.36 -1.136579241e-01 -1.136579241e-01 5.38 -1.088621779e-01 -1.088621779e-01 5.40 -1.042811576e-01 -1.042811576e-01 5.42 -9.990125951e-02 -9.990125951e-02 5.44 -9.570914029e-02 -9.570914029e-02 5.46 -9.169166689e-02 -9.169166689e-02 5.48 -8.783592608e-02 -8.783592608e-02 5.50 -8.412928465e-02 -8.412928465e-02 5.52 -8.055948698e-02 -8.055948698e-02 5.54 -7.711478003e-02 -7.711478003e-02 5.56 -7.378405535e-02 -7.378405535e-02 5.58 -7.055699857e-02 -7.055699857e-02 5.60 -6.742423820e-02 -6.742423820e-02 5.62 -6.437748259e-02 -6.437748259e-02 5.64 -6.140964186e-02 -6.140964186e-02 5.66 -5.851492483e-02 -5.851492483e-02 5.68 -5.568890306e-02 -5.568890306e-02 5.70 -5.292853436e-02 -5.292853436e-02 5.72 -5.023213884e-02 -5.023213884e-02 5.74 -4.759932254e-02 -4.759932254e-02 5.76 -4.503084704e-02 -4.503084704e-02 5.78 -4.252836509e-02 -4.252836509e-02 5.80 -4.009379673e-02 -4.009379673e-02 5.82 -3.773025414e-02 -3.773025414e-02 5.84 -3.544119290e-02 -3.544119290e-02 5.86 -3.322998361e-02 -3.322998361e-02 5.88 -3.109967957e-02 -3.109967957e-02 5.90 -2.905282985e-02 -2.905282985e-02 5.92 -2.709134986e-02 -2.709134986e-02 5.94 -2.521645382e-02 -2.521645382e-02 5.96 -2.342864664e-02 -2.342864664e-02 5.98 -2.172776991e-02 -2.172776991e-02 6.00 -2.011308222e-02 -2.011308222e-02