# 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 = AgMoZr2 # 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 3.666998621e+02 3.666998621e+02 1.30 3.408021794e+02 3.408021794e+02 1.32 3.167895890e+02 3.167895890e+02 1.34 2.945111939e+02 2.945111939e+02 1.36 2.738281967e+02 2.738281967e+02 1.38 2.546136347e+02 2.546136347e+02 1.40 2.367518400e+02 2.367518400e+02 1.42 2.201371692e+02 2.201371692e+02 1.44 2.046726993e+02 2.046726993e+02 1.46 1.902697042e+02 1.902697042e+02 1.48 1.768477998e+02 1.768477998e+02 1.50 1.643348838e+02 1.643348838e+02 1.52 1.526664399e+02 1.526664399e+02 1.54 1.417843819e+02 1.417843819e+02 1.56 1.316360113e+02 1.316360113e+02 1.58 1.221732903e+02 1.221732903e+02 1.60 1.133521149e+02 1.133521149e+02 1.62 1.051313543e+02 1.051313543e+02 1.64 9.747191071e+01 9.747191071e+01 1.66 9.033611602e+01 9.033611602e+01 1.68 8.368762351e+01 8.368762351e+01 1.70 7.749175254e+01 7.749175254e+01 1.72 7.171586370e+01 7.171586370e+01 1.74 6.632960504e+01 6.632960504e+01 1.76 6.130493440e+01 6.130493440e+01 1.78 5.661603413e+01 5.661603413e+01 1.80 5.223913120e+01 5.223913120e+01 1.82 4.815231780e+01 4.815231780e+01 1.84 4.433530728e+01 4.433530728e+01 1.86 4.076936831e+01 4.076936831e+01 1.88 3.743731369e+01 3.743731369e+01 1.90 3.432350703e+01 3.432350703e+01 1.92 3.141375216e+01 3.141375216e+01 1.94 2.869564515e+01 2.869564515e+01 1.96 2.615779388e+01 2.615779388e+01 1.98 2.378988969e+01 2.378988969e+01 2.00 2.158281550e+01 2.158281550e+01 2.02 1.952730547e+01 1.952730547e+01 2.04 1.761380184e+01 1.761380184e+01 2.06 1.583301201e+01 1.583301201e+01 2.08 1.417598341e+01 1.417598341e+01 2.10 1.263409181e+01 1.263409181e+01 2.12 1.119909199e+01 1.119909199e+01 2.14 9.863207949e+00 9.863207949e+00 2.16 8.619243904e+00 8.619243904e+00 2.18 7.460641303e+00 7.460641303e+00 2.20 6.381484217e+00 6.381484217e+00 2.22 5.376426139e+00 5.376426139e+00 2.24 4.440609632e+00 4.440609632e+00 2.26 3.569602147e+00 3.569602147e+00 2.28 2.759341199e+00 2.759341199e+00 2.30 2.006131593e+00 2.006131593e+00 2.32 1.306575916e+00 1.306575916e+00 2.34 6.575637325e-01 6.575637325e-01 2.36 5.619277527e-02 5.619277527e-02 2.38 -5.002786518e-01 -5.002786518e-01 2.40 -1.014476668e+00 -1.014476668e+00 2.42 -1.488951833e+00 -1.488951833e+00 2.44 -1.926191506e+00 -1.926191506e+00 2.46 -2.328630816e+00 -2.328630816e+00 2.48 -2.698639072e+00 -2.698639072e+00 2.50 -3.038495126e+00 -3.038495126e+00 2.52 -3.350357171e+00 -3.350357171e+00 2.54 -3.636234898e+00 -3.636234898e+00 2.56 -3.897970531e+00 -3.897970531e+00 2.58 -4.137233108e+00 -4.137233108e+00 2.60 -4.355527223e+00 -4.355527223e+00 2.62 -4.554209573e+00 -4.554209573e+00 2.64 -4.734529314e+00 -4.734529314e+00 2.66 -4.897627241e+00 -4.897627241e+00 2.68 -5.044572704e+00 -5.044572704e+00 2.70 -5.176372154e+00 -5.176372154e+00 2.72 -5.293977765e+00 -5.293977765e+00 2.74 -5.398291786e+00 -5.398291786e+00 2.76 -5.490238552e+00 -5.490238552e+00 2.78 -5.570650640e+00 -5.570650640e+00 2.80 -5.640166264e+00 -5.640166264e+00 2.82 -5.699385369e+00 -5.699385369e+00 2.84 -5.748878990e+00 -5.748878990e+00 2.86 -5.789183953e+00 -5.789183953e+00 2.88 -5.820790730e+00 -5.820790730e+00 2.90 -5.844082113e+00 -5.844082113e+00 2.92 -5.859549174e+00 -5.859549174e+00 2.94 -5.867537914e+00 -5.867537914e+00 2.96 -5.868227923e+00 -5.868227923e+00 2.98 -5.861815260e+00 -5.861815260e+00 3.00 -5.848516824e+00 -5.848516824e+00 3.02 -5.828564463e+00 -5.828564463e+00 3.04 -5.802196535e+00 -5.802196535e+00 3.06 -5.769670361e+00 -5.769670361e+00 3.08 -5.731228128e+00 -5.731228128e+00 3.10 -5.687037462e+00 -5.687037462e+00 3.12 -5.637229168e+00 -5.637229168e+00 3.14 -5.581974808e+00 -5.581974808e+00 3.16 -5.521461042e+00 -5.521461042e+00 3.18 -5.455906398e+00 -5.455906398e+00 3.20 -5.385555052e+00 -5.385555052e+00 3.22 -5.310676074e+00 -5.310676074e+00 3.24 -5.231563770e+00 -5.231563770e+00 3.26 -5.148539139e+00 -5.148539139e+00 3.28 -5.061953797e+00 -5.061953797e+00 3.30 -4.972264650e+00 -4.972264650e+00 3.32 -4.879850776e+00 -4.879850776e+00 3.34 -4.785064592e+00 -4.785064592e+00 3.36 -4.688289598e+00 -4.688289598e+00 3.38 -4.589928196e+00 -4.589928196e+00 3.40 -4.490389156e+00 -4.490389156e+00 3.42 -4.390086101e+00 -4.390086101e+00 3.44 -4.289419460e+00 -4.289419460e+00 3.46 -4.188778790e+00 -4.188778790e+00 3.48 -4.088535595e+00 -4.088535595e+00 3.50 -3.989039847e+00 -3.989039847e+00 3.52 -3.890610287e+00 -3.890610287e+00 3.54 -3.793526594e+00 -3.793526594e+00 3.56 -3.698024259e+00 -3.698024259e+00 3.58 -3.604291222e+00 -3.604291222e+00 3.60 -3.512466748e+00 -3.512466748e+00 3.62 -3.422642677e+00 -3.422642677e+00 3.64 -3.334866847e+00 -3.334866847e+00 3.66 -3.249148328e+00 -3.249148328e+00 3.68 -3.165463984e+00 -3.165463984e+00 3.70 -3.083765897e+00 -3.083765897e+00 3.72 -3.003989232e+00 -3.003989232e+00 3.74 -2.926060181e+00 -2.926060181e+00 3.76 -2.849903605e+00 -2.849903605e+00 3.78 -2.775450008e+00 -2.775450008e+00 3.80 -2.702641352e+00 -2.702641352e+00 3.82 -2.631435214e+00 -2.631435214e+00 3.84 -2.561806746e+00 -2.561806746e+00 3.86 -2.493748111e+00 -2.493748111e+00 3.88 -2.427265351e+00 -2.427265351e+00 3.90 -2.362373121e+00 -2.362373121e+00 3.92 -2.299084624e+00 -2.299084624e+00 3.94 -2.237420119e+00 -2.237420119e+00 3.96 -2.177377732e+00 -2.177377732e+00 3.98 -2.118946839e+00 -2.118946839e+00 4.00 -2.062102495e+00 -2.062102495e+00 4.02 -2.006806463e+00 -2.006806463e+00 4.04 -1.953009775e+00 -1.953009775e+00 4.06 -1.900656112e+00 -1.900656112e+00 4.08 -1.849685316e+00 -1.849685316e+00 4.10 -1.800028410e+00 -1.800028410e+00 4.12 -1.751644306e+00 -1.751644306e+00 4.14 -1.704467840e+00 -1.704467840e+00 4.16 -1.658448880e+00 -1.658448880e+00 4.18 -1.613542935e+00 -1.613542935e+00 4.20 -1.569711406e+00 -1.569711406e+00 4.22 -1.526921514e+00 -1.526921514e+00 4.24 -1.485145990e+00 -1.485145990e+00 4.26 -1.444362574e+00 -1.444362574e+00 4.28 -1.404553373e+00 -1.404553373e+00 4.30 -1.365704080e+00 -1.365704080e+00 4.32 -1.327803113e+00 -1.327803113e+00 4.34 -1.290840677e+00 -1.290840677e+00 4.36 -1.254807820e+00 -1.254807820e+00 4.38 -1.219695533e+00 -1.219695533e+00 4.40 -1.185493951e+00 -1.185493951e+00 4.42 -1.152191716e+00 -1.152191716e+00 4.44 -1.119775543e+00 -1.119775543e+00 4.46 -1.088229986e+00 -1.088229986e+00 4.48 -1.057537415e+00 -1.057537415e+00 4.50 -1.027678162e+00 -1.027678162e+00 4.52 -9.986307941e-01 -9.986307941e-01 4.54 -9.703724625e-01 -9.703724625e-01 4.56 -9.428792893e-01 -9.428792893e-01 4.58 -9.161267473e-01 -9.161267473e-01 4.60 -8.900900115e-01 -8.900900115e-01 4.62 -8.647442683e-01 -8.647442683e-01 4.64 -8.400649769e-01 -8.400649769e-01 4.66 -8.160280874e-01 -8.160280874e-01 4.68 -7.926102215e-01 -7.926102215e-01 4.70 -7.697888270e-01 -7.697888270e-01 4.72 -7.475423145e-01 -7.475423145e-01 4.74 -7.258501852e-01 -7.258501852e-01 4.76 -7.046931549e-01 -7.046931549e-01 4.78 -6.840532770e-01 -6.840532770e-01 4.80 -6.639079050e-01 -6.639079050e-01 4.82 -6.442554854e-01 -6.442554854e-01 4.84 -6.250753911e-01 -6.250753911e-01 4.86 -6.063561507e-01 -6.063561507e-01 4.88 -5.880880554e-01 -5.880880554e-01 4.90 -5.702631295e-01 -5.702631295e-01 4.92 -5.528750292e-01 -5.528750292e-01 4.94 -5.359188590e-01 -5.359188590e-01 4.96 -5.193909022e-01 -5.193909022e-01 4.98 -5.032882701e-01 -5.032882701e-01 5.00 -4.876084858e-01 -4.876084858e-01 5.02 -4.723490274e-01 -4.723490274e-01 5.04 -4.575068619e-01 -4.575068619e-01 5.06 -4.430780100e-01 -4.430780100e-01 5.08 -4.290571753e-01 -4.290571753e-01 5.10 -4.154374726e-01 -4.154374726e-01 5.12 -4.022102762e-01 -4.022102762e-01 5.14 -3.893652000e-01 -3.893652000e-01 5.16 -3.768902100e-01 -3.768902100e-01 5.18 -3.647718562e-01 -3.647718562e-01 5.20 -3.529956077e-01 -3.529956077e-01 5.22 -3.415462650e-01 -3.415462650e-01 5.24 -3.304084269e-01 -3.304084269e-01 5.26 -3.195669848e-01 -3.195669848e-01 5.28 -3.090076221e-01 -3.090076221e-01 5.30 -2.987172946e-01 -2.987172946e-01 5.32 -2.886846697e-01 -2.886846697e-01 5.34 -2.789005013e-01 -2.789005013e-01 5.36 -2.693579148e-01 -2.693579148e-01 5.38 -2.600525800e-01 -2.600525800e-01 5.40 -2.509827473e-01 -2.509827473e-01 5.42 -2.421491306e-01 -2.421491306e-01 5.44 -2.335546287e-01 -2.335546287e-01 5.46 -2.252038910e-01 -2.252038910e-01 5.48 -2.171027469e-01 -2.171027469e-01 5.50 -2.092575371e-01 -2.092575371e-01 5.52 -2.016744018e-01 -2.016744018e-01 5.54 -1.943585816e-01 -1.943585816e-01 5.56 -1.873137937e-01 -1.873137937e-01 5.58 -1.805417353e-01 -1.805417353e-01 5.60 -1.740416159e-01 -1.740416159e-01 5.62 -1.678100056e-01 -1.678100056e-01 5.64 -1.618414646e-01 -1.618414646e-01 5.66 -1.561281764e-01 -1.561281764e-01 5.68 -1.506602163e-01 -1.506602163e-01 5.70 -1.454259312e-01 -1.454259312e-01 5.72 -1.404123509e-01 -1.404123509e-01 5.74 -1.356055963e-01 -1.356055963e-01 5.76 -1.309912563e-01 -1.309912563e-01 5.78 -1.265547167e-01 -1.265547167e-01 5.80 -1.222814309e-01 -1.222814309e-01 5.82 -1.181571317e-01 -1.181571317e-01 5.84 -1.141679884e-01 -1.141679884e-01 5.86 -1.103007159e-01 -1.103007159e-01 5.88 -1.065426457e-01 -1.065426457e-01 5.90 -1.028817691e-01 -1.028817691e-01 5.92 -9.930676195e-02 -9.930676195e-02 5.94 -9.580700035e-02 -9.580700035e-02 5.96 -9.237257487e-02 -9.237257487e-02 5.98 -8.899431022e-02 -8.899431022e-02 6.00 -8.566379533e-02 -8.566379533e-02