# 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 = CuFePd2 # 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 2.244730448e+02 2.244730448e+02 1.30 2.067726533e+02 2.067726533e+02 1.32 1.904298485e+02 1.904298485e+02 1.34 1.753385475e+02 1.753385475e+02 1.36 1.614005707e+02 1.614005707e+02 1.38 1.485231997e+02 1.485231997e+02 1.40 1.366189757e+02 1.366189757e+02 1.42 1.256067466e+02 1.256067466e+02 1.44 1.154130534e+02 1.154130534e+02 1.46 1.059729405e+02 1.059729405e+02 1.48 9.722934951e+01 9.722934951e+01 1.50 8.913120981e+01 8.913120981e+01 1.52 8.163121196e+01 8.163121196e+01 1.54 7.468423170e+01 7.468423170e+01 1.56 6.824675057e+01 6.824675057e+01 1.58 6.227708087e+01 6.227708087e+01 1.60 5.673607228e+01 5.673607228e+01 1.62 5.158804983e+01 5.158804983e+01 1.64 4.682597377e+01 4.682597377e+01 1.66 4.243892392e+01 4.243892392e+01 1.68 3.839931177e+01 3.839931177e+01 1.70 3.468263076e+01 3.468263076e+01 1.72 3.126639825e+01 3.126639825e+01 1.74 2.812938694e+01 2.812938694e+01 1.76 2.525126047e+01 2.525126047e+01 1.78 2.261253112e+01 2.261253112e+01 1.80 2.019465768e+01 2.019465768e+01 1.82 1.798014694e+01 1.798014694e+01 1.84 1.595259899e+01 1.595259899e+01 1.86 1.409668089e+01 1.409668089e+01 1.88 1.239805806e+01 1.239805806e+01 1.90 1.084335319e+01 1.084335319e+01 1.92 9.420183817e+00 9.420183817e+00 1.94 8.117252143e+00 8.117252143e+00 1.96 6.924401651e+00 6.924401651e+00 1.98 5.832574553e+00 5.832574553e+00 2.00 4.833675932e+00 4.833675932e+00 2.02 3.920402772e+00 3.920402772e+00 2.04 3.086095197e+00 3.086095197e+00 2.06 2.324634679e+00 2.324634679e+00 2.08 1.630384304e+00 1.630384304e+00 2.10 9.981541613e-01 9.981541613e-01 2.12 4.231760288e-01 4.231760288e-01 2.14 -9.892277472e-02 -9.892277472e-02 2.16 -5.721504592e-01 -5.721504592e-01 2.18 -1.000185738e+00 -1.000185738e+00 2.20 -1.386412589e+00 -1.386412589e+00 2.22 -1.733950804e+00 -1.733950804e+00 2.24 -2.045681418e+00 -2.045681418e+00 2.26 -2.324269915e+00 -2.324269915e+00 2.28 -2.572191590e+00 -2.572191590e+00 2.30 -2.791760546e+00 -2.791760546e+00 2.32 -2.985158543e+00 -2.985158543e+00 2.34 -3.154456855e+00 -3.154456855e+00 2.36 -3.301626771e+00 -3.301626771e+00 2.38 -3.428540379e+00 -3.428540379e+00 2.40 -3.536967946e+00 -3.536967946e+00 2.42 -3.628578097e+00 -3.628578097e+00 2.44 -3.704942924e+00 -3.704942924e+00 2.46 -3.767545175e+00 -3.767545175e+00 2.48 -3.817781516e+00 -3.817781516e+00 2.50 -3.857237172e+00 -3.857237172e+00 2.52 -3.887675730e+00 -3.887675730e+00 2.54 -3.909772592e+00 -3.909772592e+00 2.56 -3.924346328e+00 -3.924346328e+00 2.58 -3.931731895e+00 -3.931731895e+00 2.60 -3.932077333e+00 -3.932077333e+00 2.62 -3.925547971e+00 -3.925547971e+00 2.64 -3.912332022e+00 -3.912332022e+00 2.66 -3.892689762e+00 -3.892689762e+00 2.68 -3.866987758e+00 -3.866987758e+00 2.70 -3.835626230e+00 -3.835626230e+00 2.72 -3.799040634e+00 -3.799040634e+00 2.74 -3.757630900e+00 -3.757630900e+00 2.76 -3.711712557e+00 -3.711712557e+00 2.78 -3.661602608e+00 -3.661602608e+00 2.80 -3.607631113e+00 -3.607631113e+00 2.82 -3.550141319e+00 -3.550141319e+00 2.84 -3.489493549e+00 -3.489493549e+00 2.86 -3.426070056e+00 -3.426070056e+00 2.88 -3.360277312e+00 -3.360277312e+00 2.90 -3.292542624e+00 -3.292542624e+00 2.92 -3.223303525e+00 -3.223303525e+00 2.94 -3.152990626e+00 -3.152990626e+00 2.96 -3.082006902e+00 -3.082006902e+00 2.98 -3.010707874e+00 -3.010707874e+00 3.00 -2.939387130e+00 -2.939387130e+00 3.02 -2.868270091e+00 -2.868270091e+00 3.04 -2.797516497e+00 -2.797516497e+00 3.06 -2.727229908e+00 -2.727229908e+00 3.08 -2.657471293e+00 -2.657471293e+00 3.10 -2.588273740e+00 -2.588273740e+00 3.12 -2.519656068e+00 -2.519656068e+00 3.14 -2.451634103e+00 -2.451634103e+00 3.16 -2.384229165e+00 -2.384229165e+00 3.18 -2.317473857e+00 -2.317473857e+00 3.20 -2.251415418e+00 -2.251415418e+00 3.22 -2.186116908e+00 -2.186116908e+00 3.24 -2.121656497e+00 -2.121656497e+00 3.26 -2.058125073e+00 -2.058125073e+00 3.28 -1.995622440e+00 -1.995622440e+00 3.30 -1.934252473e+00 -1.934252473e+00 3.32 -1.874117706e+00 -1.874117706e+00 3.34 -1.815313886e+00 -1.815313886e+00 3.36 -1.757925064e+00 -1.757925064e+00 3.38 -1.702019684e+00 -1.702019684e+00 3.40 -1.647647990e+00 -1.647647990e+00 3.42 -1.594840862e+00 -1.594840862e+00 3.44 -1.543610000e+00 -1.543610000e+00 3.46 -1.493949236e+00 -1.493949236e+00 3.48 -1.445836638e+00 -1.445836638e+00 3.50 -1.399237071e+00 -1.399237071e+00 3.52 -1.354104919e+00 -1.354104919e+00 3.54 -1.310386716e+00 -1.310386716e+00 3.56 -1.268023550e+00 -1.268023550e+00 3.58 -1.226953162e+00 -1.226953162e+00 3.60 -1.187111727e+00 -1.187111727e+00 3.62 -1.148435370e+00 -1.148435370e+00 3.64 -1.110861472e+00 -1.110861472e+00 3.66 -1.074329833e+00 -1.074329833e+00 3.68 -1.038783769e+00 -1.038783769e+00 3.70 -1.004171147e+00 -1.004171147e+00 3.72 -9.704453701e-01 -9.704453701e-01 3.74 -9.375662413e-01 -9.375662413e-01 3.76 -9.055006169e-01 -9.055006169e-01 3.78 -8.742227103e-01 -8.742227103e-01 3.80 -8.437139202e-01 -8.437139202e-01 3.82 -8.139620926e-01 -8.139620926e-01 3.84 -7.849602050e-01 -7.849602050e-01 3.86 -7.567045792e-01 -7.567045792e-01 3.88 -7.291928375e-01 -7.291928375e-01 3.90 -7.024219043e-01 -7.024219043e-01 3.92 -6.763863719e-01 -6.763863719e-01 3.94 -6.510774982e-01 -6.510774982e-01 3.96 -6.264829757e-01 -6.264829757e-01 3.98 -6.025874715e-01 -6.025874715e-01 4.00 -5.793737827e-01 -5.793737827e-01 4.02 -5.568243480e-01 -5.568243480e-01 4.04 -5.349228067e-01 -5.349228067e-01 4.06 -5.136553002e-01 -5.136553002e-01 4.08 -4.930112708e-01 -4.930112708e-01 4.10 -4.729836052e-01 -4.729836052e-01 4.12 -4.535680934e-01 -4.535680934e-01 4.14 -4.347622824e-01 -4.347622824e-01 4.16 -4.165639331e-01 -4.165639331e-01 4.18 -3.989693429e-01 -3.989693429e-01 4.20 -3.819718254e-01 -3.819718254e-01 4.22 -3.655606074e-01 -3.655606074e-01 4.24 -3.497203114e-01 -3.497203114e-01 4.26 -3.344310877e-01 -3.344310877e-01 4.28 -3.196693412e-01 -3.196693412e-01 4.30 -3.054089051e-01 -3.054089051e-01 4.32 -2.916224573e-01 -2.916224573e-01 4.34 -2.782829592e-01 -2.782829592e-01 4.36 -2.653649134e-01 -2.653649134e-01 4.38 -2.528452865e-01 -2.528452865e-01 4.40 -2.407040044e-01 -2.407040044e-01 4.42 -2.289239997e-01 -2.289239997e-01 4.44 -2.174908591e-01 -2.174908591e-01 4.46 -2.063921818e-01 -2.063921818e-01 4.48 -1.956167873e-01 -1.956167873e-01 4.50 -1.851539501e-01 -1.851539501e-01 4.52 -1.749928227e-01 -1.749928227e-01 4.54 -1.651221523e-01 -1.651221523e-01 4.56 -1.555303706e-01 -1.555303706e-01 4.58 -1.462060225e-01 -1.462060225e-01 4.60 -1.371385189e-01 -1.371385189e-01 4.62 -1.283190852e-01 -1.283190852e-01 4.64 -1.197415783e-01 -1.197415783e-01 4.66 -1.114039116e-01 -1.114039116e-01 4.68 -1.033085298e-01 -1.033085298e-01 4.70 -9.546260407e-02 -9.546260407e-02 4.72 -8.787796741e-02 -8.787796741e-02 4.74 -8.057057794e-02 -8.057057794e-02 4.76 -7.355953594e-02 -7.355953594e-02 4.78 -6.686573782e-02 -6.686573782e-02 4.80 -6.051029612e-02 -6.051029612e-02 4.82 -5.451288772e-02 -5.451288772e-02 4.84 -4.889019454e-02 -4.889019454e-02 4.86 -4.365459700e-02 -4.365459700e-02 4.88 -3.881323155e-02 -3.881323155e-02 4.90 -3.436747929e-02 -3.436747929e-02 4.92 -3.031289398e-02 -3.031289398e-02 4.94 -2.663952853e-02 -2.663952853e-02 4.96 -2.333257427e-02 -2.333257427e-02 4.98 -2.037322127e-02 -2.037322127e-02 5.00 -1.773963176e-02 -1.773963176e-02 5.02 -1.540792971e-02 -1.540792971e-02 5.04 -1.335277013e-02 -1.335277013e-02 5.06 -1.154876040e-02 -1.154876040e-02 5.08 -9.971453008e-03 -9.971453008e-03 5.10 -8.597133347e-03 -8.597133347e-03 5.12 -7.403287417e-03 -7.403287417e-03 5.14 -6.368915081e-03 -6.368915081e-03 5.16 -5.474711363e-03 -5.474711363e-03 5.18 -4.703143346e-03 -4.703143346e-03 5.20 -4.038448338e-03 -4.038448338e-03 5.22 -3.466575651e-03 -3.466575651e-03 5.24 -2.975090586e-03 -2.975090586e-03 5.26 -2.553055346e-03 -2.553055346e-03 5.28 -2.190898198e-03 -2.190898198e-03 5.30 -1.880279144e-03 -1.880279144e-03 5.32 -1.613957956e-03 -1.613957956e-03 5.34 -1.385668441e-03 -1.385668441e-03 5.36 -1.190001339e-03 -1.190001339e-03 5.38 -1.022297116e-03 -1.022297116e-03 5.40 -8.785491433e-04 -8.785491433e-04 5.42 -7.553171928e-04 -7.553171928e-04 5.44 -6.496508249e-04 -6.496508249e-04 5.46 -5.590220076e-04 -5.590220076e-04 5.48 -4.812662075e-04 -4.812662075e-04 5.50 -4.145311292e-04 -4.145311292e-04 5.52 -3.572322890e-04 -3.572322890e-04 5.54 -3.080146360e-04 -3.080146360e-04 5.56 -2.657194885e-04 -2.657194885e-04 5.58 -2.293561116e-04 -2.293561116e-04 5.60 -1.980773294e-04 -1.980773294e-04 5.62 -1.711586309e-04 -1.711586309e-04 5.64 -1.479802895e-04 -1.479802895e-04 5.66 -1.280120760e-04 -1.280120760e-04 5.68 -1.108001987e-04 -1.108001987e-04 5.70 -9.595615277e-05 -9.595615277e-05 5.72 -8.314720215e-05 -8.314720215e-05 5.74 -7.208825872e-05 -7.208825872e-05 5.76 -6.253495339e-05 -6.253495339e-05 5.78 -5.427772504e-05 -5.427772504e-05 5.80 -4.713677740e-05 -4.713677740e-05 5.82 -4.095777604e-05 -4.095777604e-05 5.84 -3.560817600e-05 -3.560817600e-05 5.86 -3.097408712e-05 -3.097408712e-05 5.88 -2.695759736e-05 -2.695759736e-05 5.90 -2.347448667e-05 -2.347448667e-05 5.92 -2.045227350e-05 -2.045227350e-05 5.94 -1.782854512e-05 -1.782854512e-05 5.96 -1.554952968e-05 -1.554952968e-05 5.98 -1.356887474e-05 -1.356887474e-05 6.00 -1.184660166e-05 -1.184660166e-05