# 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 = AgMg2Pd # 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 3.250210675e+02 3.250210675e+02 1.30 3.009297566e+02 3.009297566e+02 1.32 2.786521838e+02 2.786521838e+02 1.34 2.580435933e+02 2.580435933e+02 1.36 2.389711455e+02 2.389711455e+02 1.38 2.213122129e+02 2.213122129e+02 1.40 2.049536270e+02 2.049536270e+02 1.42 1.897916406e+02 1.897916406e+02 1.44 1.757320707e+02 1.757320707e+02 1.46 1.626898649e+02 1.626898649e+02 1.48 1.505879336e+02 1.505879336e+02 1.50 1.393558320e+02 1.393558320e+02 1.52 1.289287823e+02 1.289287823e+02 1.54 1.192469780e+02 1.192469780e+02 1.56 1.102550156e+02 1.102550156e+02 1.58 1.019014281e+02 1.019014281e+02 1.60 9.414515108e+01 9.414515108e+01 1.62 8.695558586e+01 8.695558586e+01 1.64 8.029017286e+01 8.029017286e+01 1.66 7.410964209e+01 7.410964209e+01 1.68 6.837813928e+01 6.837813928e+01 1.70 6.306281141e+01 6.306281141e+01 1.72 5.813341635e+01 5.813341635e+01 1.74 5.356200026e+01 5.356200026e+01 1.76 4.932266080e+01 4.932266080e+01 1.78 4.539138811e+01 4.539138811e+01 1.80 4.174593917e+01 4.174593917e+01 1.82 3.836570664e+01 3.836570664e+01 1.84 3.523157342e+01 3.523157342e+01 1.86 3.232578204e+01 3.232578204e+01 1.88 2.963182861e+01 2.963182861e+01 1.90 2.713439231e+01 2.713439231e+01 1.92 2.481928747e+01 2.481928747e+01 1.94 2.267341296e+01 2.267341296e+01 1.96 2.068468369e+01 2.068468369e+01 1.98 1.884194069e+01 1.884194069e+01 2.00 1.713485615e+01 1.713485615e+01 2.02 1.555385069e+01 1.555385069e+01 2.04 1.409002966e+01 1.409002966e+01 2.06 1.273512957e+01 1.273512957e+01 2.08 1.148146523e+01 1.148146523e+01 2.10 1.032188126e+01 1.032188126e+01 2.12 9.249710387e+00 9.249710387e+00 2.14 8.258743123e+00 8.258743123e+00 2.16 7.343205905e+00 7.343205905e+00 2.18 6.497740092e+00 6.497740092e+00 2.20 5.717381687e+00 5.717381687e+00 2.22 4.997537148e+00 4.997537148e+00 2.24 4.333960983e+00 4.333960983e+00 2.26 3.722734667e+00 3.722734667e+00 2.28 3.160243407e+00 3.160243407e+00 2.30 2.643153918e+00 2.643153918e+00 2.32 2.168381311e+00 2.168381311e+00 2.34 1.733058177e+00 1.733058177e+00 2.36 1.334499389e+00 1.334499389e+00 2.38 9.701726198e-01 9.701726198e-01 2.40 6.376743709e-01 6.376743709e-01 2.42 3.347114738e-01 3.347114738e-01 2.44 5.908980489e-02 5.908980489e-02 2.46 -1.912928082e-01 -1.912928082e-01 2.48 -4.184459320e-01 -4.184459320e-01 2.50 -6.243431641e-01 -6.243431641e-01 2.52 -8.111073767e-01 -8.111073767e-01 2.54 -9.802654318e-01 -9.802654318e-01 2.56 -1.133157793e+00 -1.133157793e+00 2.58 -1.271016554e+00 -1.271016554e+00 2.60 -1.394966415e+00 -1.394966415e+00 2.62 -1.506032180e+00 -1.506032180e+00 2.64 -1.605149734e+00 -1.605149734e+00 2.66 -1.693177713e+00 -1.693177713e+00 2.68 -1.770938146e+00 -1.770938146e+00 2.70 -1.839193443e+00 -1.839193443e+00 2.72 -1.898711938e+00 -1.898711938e+00 2.74 -1.950120239e+00 -1.950120239e+00 2.76 -1.993894458e+00 -1.993894458e+00 2.78 -2.030492164e+00 -2.030492164e+00 2.80 -2.060358117e+00 -2.060358117e+00 2.82 -2.083927023e+00 -2.083927023e+00 2.84 -2.101628631e+00 -2.101628631e+00 2.86 -2.113890677e+00 -2.113890677e+00 2.88 -2.121142715e+00 -2.121142715e+00 2.90 -2.123820704e+00 -2.123820704e+00 2.92 -2.122357002e+00 -2.122357002e+00 2.94 -2.117173132e+00 -2.117173132e+00 2.96 -2.108672866e+00 -2.108672866e+00 2.98 -2.097235324e+00 -2.097235324e+00 3.00 -2.083209836e+00 -2.083209836e+00 3.02 -2.066913607e+00 -2.066913607e+00 3.04 -2.048631894e+00 -2.048631894e+00 3.06 -2.028621369e+00 -2.028621369e+00 3.08 -2.007111163e+00 -2.007111163e+00 3.10 -1.984306543e+00 -1.984306543e+00 3.12 -1.960389818e+00 -1.960389818e+00 3.14 -1.935531143e+00 -1.935531143e+00 3.16 -1.909901196e+00 -1.909901196e+00 3.18 -1.883594533e+00 -1.883594533e+00 3.20 -1.856688998e+00 -1.856688998e+00 3.22 -1.829256429e+00 -1.829256429e+00 3.24 -1.801364937e+00 -1.801364937e+00 3.26 -1.773081038e+00 -1.773081038e+00 3.28 -1.744471170e+00 -1.744471170e+00 3.30 -1.715602182e+00 -1.715602182e+00 3.32 -1.686528350e+00 -1.686528350e+00 3.34 -1.657261559e+00 -1.657261559e+00 3.36 -1.627812750e+00 -1.627812750e+00 3.38 -1.598200528e+00 -1.598200528e+00 3.40 -1.568448348e+00 -1.568448348e+00 3.42 -1.538583068e+00 -1.538583068e+00 3.44 -1.508633429e+00 -1.508633429e+00 3.46 -1.478629827e+00 -1.478629827e+00 3.48 -1.448603833e+00 -1.448603833e+00 3.50 -1.418587804e+00 -1.418587804e+00 3.52 -1.388614425e+00 -1.388614425e+00 3.54 -1.358716161e+00 -1.358716161e+00 3.56 -1.328924671e+00 -1.328924671e+00 3.58 -1.299270236e+00 -1.299270236e+00 3.60 -1.269781249e+00 -1.269781249e+00 3.62 -1.240483796e+00 -1.240483796e+00 3.64 -1.211401356e+00 -1.211401356e+00 3.66 -1.182554638e+00 -1.182554638e+00 3.68 -1.153961555e+00 -1.153961555e+00 3.70 -1.125637338e+00 -1.125637338e+00 3.72 -1.097594792e+00 -1.097594792e+00 3.74 -1.069844666e+00 -1.069844666e+00 3.76 -1.042396119e+00 -1.042396119e+00 3.78 -1.015257245e+00 -1.015257245e+00 3.80 -9.884355740e-01 -9.884355740e-01 3.82 -9.619385205e-01 -9.619385205e-01 3.84 -9.357736862e-01 -9.357736862e-01 3.86 -9.099489932e-01 -9.099489932e-01 3.88 -8.844726355e-01 -8.844726355e-01 3.90 -8.593528907e-01 -8.593528907e-01 3.92 -8.345976941e-01 -8.345976941e-01 3.94 -8.102151972e-01 -8.102151972e-01 3.96 -7.862125071e-01 -7.862125071e-01 3.98 -7.625966666e-01 -7.625966666e-01 4.00 -7.393747490e-01 -7.393747490e-01 4.02 -7.165543075e-01 -7.165543075e-01 4.04 -6.941438503e-01 -6.941438503e-01 4.06 -6.721532228e-01 -6.721532228e-01 4.08 -6.505937893e-01 -6.505937893e-01 4.10 -6.294777928e-01 -6.294777928e-01 4.12 -6.088202662e-01 -6.088202662e-01 4.14 -5.886347310e-01 -5.886347310e-01 4.16 -5.689349298e-01 -5.689349298e-01 4.18 -5.497332328e-01 -5.497332328e-01 4.20 -5.310397954e-01 -5.310397954e-01 4.22 -5.128618933e-01 -5.128618933e-01 4.24 -4.952035036e-01 -4.952035036e-01 4.26 -4.780651476e-01 -4.780651476e-01 4.28 -4.614439604e-01 -4.614439604e-01 4.30 -4.453339155e-01 -4.453339155e-01 4.32 -4.297261236e-01 -4.297261236e-01 4.34 -4.146091332e-01 -4.146091332e-01 4.36 -3.999691898e-01 -3.999691898e-01 4.38 -3.857904429e-01 -3.857904429e-01 4.40 -3.720551170e-01 -3.720551170e-01 4.42 -3.587436813e-01 -3.587436813e-01 4.44 -3.458350570e-01 -3.458350570e-01 4.46 -3.333068898e-01 -3.333068898e-01 4.48 -3.211359070e-01 -3.211359070e-01 4.50 -3.092983582e-01 -3.092983582e-01 4.52 -2.977705303e-01 -2.977705303e-01 4.54 -2.865293145e-01 -2.865293145e-01 4.56 -2.755528039e-01 -2.755528039e-01 4.58 -2.648208952e-01 -2.648208952e-01 4.60 -2.543158682e-01 -2.543158682e-01 4.62 -2.440229160e-01 -2.440229160e-01 4.64 -2.339305950e-01 -2.339305950e-01 4.66 -2.240311638e-01 -2.240311638e-01 4.68 -2.143207763e-01 -2.143207763e-01 4.70 -2.047994996e-01 -2.047994996e-01 4.72 -1.954711345e-01 -1.954711345e-01 4.74 -1.863428317e-01 -1.863428317e-01 4.76 -1.774245172e-01 -1.774245172e-01 4.78 -1.687281611e-01 -1.687281611e-01 4.80 -1.602665617e-01 -1.602665617e-01 4.82 -1.520541117e-01 -1.520541117e-01 4.84 -1.441034507e-01 -1.441034507e-01 4.86 -1.364265635e-01 -1.364265635e-01 4.88 -1.290337935e-01 -1.290337935e-01 4.90 -1.219335157e-01 -1.219335157e-01 4.92 -1.151319896e-01 -1.151319896e-01 4.94 -1.086333618e-01 -1.086333618e-01 4.96 -1.024397671e-01 -1.024397671e-01 4.98 -9.655147803e-02 -9.655147803e-02 5.00 -9.096705710e-02 -9.096705710e-02 5.02 -8.568348119e-02 -8.568348119e-02 5.04 -8.069622592e-02 -8.069622592e-02 5.06 -7.599931511e-02 -7.599931511e-02 5.08 -7.158535779e-02 -7.158535779e-02 5.10 -6.744557685e-02 -6.744557685e-02 5.12 -6.356986492e-02 -6.356986492e-02 5.14 -5.994690656e-02 -5.994690656e-02 5.16 -5.656433587e-02 -5.656433587e-02 5.18 -5.340894284e-02 -5.340894284e-02 5.20 -5.046691756e-02 -5.046691756e-02 5.22 -4.772378973e-02 -4.772378973e-02 5.24 -4.516455605e-02 -4.516455605e-02 5.26 -4.277576859e-02 -4.277576859e-02 5.28 -4.054430380e-02 -4.054430380e-02 5.30 -3.845751263e-02 -3.845751263e-02 5.32 -3.650343979e-02 -3.650343979e-02 5.34 -3.467098337e-02 -3.467098337e-02 5.36 -3.294999828e-02 -3.294999828e-02 5.38 -3.133134822e-02 -3.133134822e-02 5.40 -2.980691094e-02 -2.980691094e-02 5.42 -2.836954300e-02 -2.836954300e-02 5.44 -2.701301078e-02 -2.701301078e-02 5.46 -2.573189490e-02 -2.573189490e-02 5.48 -2.452147588e-02 -2.452147588e-02 5.50 -2.337760989e-02 -2.337760989e-02 5.52 -2.229660325e-02 -2.229660325e-02 5.54 -2.127509404e-02 -2.127509404e-02 5.56 -2.030994794e-02 -2.030994794e-02 5.58 -1.939817351e-02 -1.939817351e-02 5.60 -1.853685966e-02 -1.853685966e-02 5.62 -1.772313564e-02 -1.772313564e-02 5.64 -1.695415156e-02 -1.695415156e-02 5.66 -1.622707589e-02 -1.622707589e-02 5.68 -1.553910544e-02 -1.553910544e-02 5.70 -1.488748305e-02 -1.488748305e-02 5.72 -1.426951882e-02 -1.426951882e-02 5.74 -1.368261093e-02 -1.368261093e-02 5.76 -1.312423794e-02 -1.312423794e-02 5.78 -1.259201679e-02 -1.259201679e-02 5.80 -1.208371507e-02 -1.208371507e-02 5.82 -1.159723749e-02 -1.159723749e-02 5.84 -1.113062779e-02 -1.113062779e-02 5.86 -1.068206754e-02 -1.068206754e-02 5.88 -1.024987255e-02 -1.024987255e-02 5.90 -9.832487965e-03 -9.832487965e-03 5.92 -9.428482838e-03 -9.428482838e-03 5.94 -9.036544858e-03 -9.036544858e-03 5.96 -8.655475896e-03 -8.655475896e-03 5.98 -8.284188800e-03 -8.284188800e-03 6.00 -7.921705756e-03 -7.921705756e-03