# 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 = AgMg2Ti # 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 3.374332746e+02 3.374332746e+02 1.30 3.126416408e+02 3.126416408e+02 1.32 2.897183665e+02 2.897183665e+02 1.34 2.685114603e+02 2.685114603e+02 1.36 2.488826157e+02 2.488826157e+02 1.38 2.307066658e+02 2.307066658e+02 1.40 2.138699314e+02 2.138699314e+02 1.42 1.982682974e+02 1.982682974e+02 1.44 1.838059676e+02 1.838059676e+02 1.46 1.703949277e+02 1.703949277e+02 1.48 1.579545818e+02 1.579545818e+02 1.50 1.464112624e+02 1.464112624e+02 1.52 1.356975968e+02 1.356975968e+02 1.54 1.257517926e+02 1.257517926e+02 1.56 1.165170316e+02 1.165170316e+02 1.58 1.079410393e+02 1.079410393e+02 1.60 9.997569620e+01 9.997569620e+01 1.62 9.257659747e+01 9.257659747e+01 1.64 8.570267803e+01 8.570267803e+01 1.66 7.931589239e+01 7.931589239e+01 1.68 7.338161981e+01 7.338161981e+01 1.70 6.786684363e+01 6.786684363e+01 1.72 6.274062876e+01 6.274062876e+01 1.74 5.797470570e+01 5.797470570e+01 1.76 5.354328059e+01 5.354328059e+01 1.78 4.942279168e+01 4.942279168e+01 1.80 4.559159588e+01 4.559159588e+01 1.82 4.202970834e+01 4.202970834e+01 1.84 3.871861242e+01 3.871861242e+01 1.86 3.564112346e+01 3.564112346e+01 1.88 3.278125342e+01 3.278125342e+01 1.90 3.012406905e+01 3.012406905e+01 1.92 2.765555343e+01 2.765555343e+01 1.94 2.536250781e+01 2.536250781e+01 1.96 2.323252229e+01 2.323252229e+01 1.98 2.125400619e+01 2.125400619e+01 2.00 1.941622167e+01 1.941622167e+01 2.02 1.770927055e+01 1.770927055e+01 2.04 1.612403312e+01 1.612403312e+01 2.06 1.465208755e+01 1.465208755e+01 2.08 1.328563678e+01 1.328563678e+01 2.10 1.201745450e+01 1.201745450e+01 2.12 1.084084151e+01 1.084084151e+01 2.14 9.749583356e+00 9.749583356e+00 2.16 8.737906685e+00 8.737906685e+00 2.18 7.800432998e+00 7.800432998e+00 2.20 6.932136165e+00 6.932136165e+00 2.22 6.128301947e+00 6.128301947e+00 2.24 5.384497600e+00 5.384497600e+00 2.26 4.696553516e+00 4.696553516e+00 2.28 4.060555070e+00 4.060555070e+00 2.30 3.472847270e+00 3.472847270e+00 2.32 2.930034753e+00 2.930034753e+00 2.34 2.428984963e+00 2.428984963e+00 2.36 1.966818088e+00 1.966818088e+00 2.38 1.540888860e+00 1.540888860e+00 2.40 1.148758226e+00 1.148758226e+00 2.42 7.881598112e-01 7.881598112e-01 2.44 4.569652614e-01 4.569652614e-01 2.46 1.531139091e-01 1.531139091e-01 2.48 -1.252503362e-01 -1.252503362e-01 2.50 -3.798696818e-01 -3.798696818e-01 2.52 -6.124076797e-01 -6.124076797e-01 2.54 -8.244464483e-01 -8.244464483e-01 2.56 -1.017483486e+00 -1.017483486e+00 2.58 -1.192929313e+00 -1.192929313e+00 2.60 -1.352090617e+00 -1.352090617e+00 2.62 -1.496089644e+00 -1.496089644e+00 2.64 -1.625950252e+00 -1.625950252e+00 2.66 -1.742638448e+00 -1.742638448e+00 2.68 -1.847058219e+00 -1.847058219e+00 2.70 -1.940049369e+00 -1.940049369e+00 2.72 -2.022389984e+00 -2.022389984e+00 2.74 -2.094801884e+00 -2.094801884e+00 2.76 -2.157957267e+00 -2.157957267e+00 2.78 -2.212484813e+00 -2.212484813e+00 2.80 -2.258976408e+00 -2.258976408e+00 2.82 -2.298071804e+00 -2.298071804e+00 2.84 -2.330289077e+00 -2.330289077e+00 2.86 -2.356028251e+00 -2.356028251e+00 2.88 -2.375687361e+00 -2.375687361e+00 2.90 -2.389661710e+00 -2.389661710e+00 2.92 -2.398343241e+00 -2.398343241e+00 2.94 -2.402120017e+00 -2.402120017e+00 2.96 -2.401376020e+00 -2.401376020e+00 2.98 -2.396493984e+00 -2.396493984e+00 3.00 -2.387859194e+00 -2.387859194e+00 3.02 -2.375850611e+00 -2.375850611e+00 3.04 -2.360836279e+00 -2.360836279e+00 3.06 -2.343169344e+00 -2.343169344e+00 3.08 -2.323179399e+00 -2.323179399e+00 3.10 -2.301167383e+00 -2.301167383e+00 3.12 -2.277400224e+00 -2.277400224e+00 3.14 -2.252110995e+00 -2.252110995e+00 3.16 -2.225497753e+00 -2.225497753e+00 3.18 -2.197729460e+00 -2.197729460e+00 3.20 -2.168950742e+00 -2.168950742e+00 3.22 -2.139287512e+00 -2.139287512e+00 3.24 -2.108852154e+00 -2.108852154e+00 3.26 -2.077747755e+00 -2.077747755e+00 3.28 -2.046090824e+00 -2.046090824e+00 3.30 -2.013984197e+00 -2.013984197e+00 3.32 -1.981484969e+00 -1.981484969e+00 3.34 -1.948651527e+00 -1.948651527e+00 3.36 -1.915541968e+00 -1.915541968e+00 3.38 -1.882212623e+00 -1.882212623e+00 3.40 -1.848717402e+00 -1.848717402e+00 3.42 -1.815108550e+00 -1.815108550e+00 3.44 -1.781437258e+00 -1.781437258e+00 3.46 -1.747744719e+00 -1.747744719e+00 3.48 -1.714038220e+00 -1.714038220e+00 3.50 -1.680329915e+00 -1.680329915e+00 3.52 -1.646646073e+00 -1.646646073e+00 3.54 -1.613024623e+00 -1.613024623e+00 3.56 -1.579511773e+00 -1.579511773e+00 3.58 -1.546157841e+00 -1.546157841e+00 3.60 -1.513012827e+00 -1.513012827e+00 3.62 -1.480122418e+00 -1.480122418e+00 3.64 -1.447525044e+00 -1.447525044e+00 3.66 -1.415250382e+00 -1.415250382e+00 3.68 -1.383319312e+00 -1.383319312e+00 3.70 -1.351745029e+00 -1.351745029e+00 3.72 -1.320534874e+00 -1.320534874e+00 3.74 -1.289692394e+00 -1.289692394e+00 3.76 -1.259219299e+00 -1.259219299e+00 3.78 -1.229117065e+00 -1.229117065e+00 3.80 -1.199388112e+00 -1.199388112e+00 3.82 -1.170036519e+00 -1.170036519e+00 3.84 -1.141068314e+00 -1.141068314e+00 3.86 -1.112491385e+00 -1.112491385e+00 3.88 -1.084315082e+00 -1.084315082e+00 3.90 -1.056549605e+00 -1.056549605e+00 3.92 -1.029205103e+00 -1.029205103e+00 3.94 -1.002291713e+00 -1.002291713e+00 3.96 -9.758177657e-01 -9.758177657e-01 3.98 -9.497902026e-01 -9.497902026e-01 4.00 -9.242141422e-01 -9.242141422e-01 4.02 -8.990928652e-01 -8.990928652e-01 4.04 -8.744279604e-01 -8.744279604e-01 4.06 -8.502195799e-01 -8.502195799e-01 4.08 -8.264667564e-01 -8.264667564e-01 4.10 -8.031670916e-01 -8.031670916e-01 4.12 -7.803198662e-01 -7.803198662e-01 4.14 -7.579220165e-01 -7.579220165e-01 4.16 -7.359715421e-01 -7.359715421e-01 4.18 -7.144669803e-01 -7.144669803e-01 4.20 -6.934076635e-01 -6.934076635e-01 4.22 -6.727939168e-01 -6.727939168e-01 4.24 -6.526271732e-01 -6.526271732e-01 4.26 -6.329099797e-01 -6.329099797e-01 4.28 -6.136458756e-01 -6.136458756e-01 4.30 -5.948391288e-01 -5.948391288e-01 4.32 -5.764943383e-01 -5.764943383e-01 4.34 -5.586159255e-01 -5.586159255e-01 4.36 -5.412075591e-01 -5.412075591e-01 4.38 -5.242715732e-01 -5.242715732e-01 4.40 -5.078084412e-01 -5.078084412e-01 4.42 -4.918163633e-01 -4.918163633e-01 4.44 -4.762910093e-01 -4.762910093e-01 4.46 -4.612254336e-01 -4.612254336e-01 4.48 -4.466101564e-01 -4.466101564e-01 4.50 -4.324333847e-01 -4.324333847e-01 4.52 -4.186813340e-01 -4.186813340e-01 4.54 -4.053386064e-01 -4.053386064e-01 4.56 -3.923885869e-01 -3.923885869e-01 4.58 -3.798138258e-01 -3.798138258e-01 4.60 -3.675963882e-01 -3.675963882e-01 4.62 -3.557181594e-01 -3.557181594e-01 4.64 -3.441611082e-01 -3.441611082e-01 4.66 -3.329075119e-01 -3.329075119e-01 4.68 -3.219401546e-01 -3.219401546e-01 4.70 -3.112425082e-01 -3.112425082e-01 4.72 -3.007989087e-01 -3.007989087e-01 4.74 -2.905947355e-01 -2.905947355e-01 4.76 -2.806166018e-01 -2.806166018e-01 4.78 -2.708525582e-01 -2.708525582e-01 4.80 -2.612918995e-01 -2.612918995e-01 4.82 -2.519270944e-01 -2.519270944e-01 4.84 -2.427513259e-01 -2.427513259e-01 4.86 -2.337605641e-01 -2.337605641e-01 4.88 -2.249532270e-01 -2.249532270e-01 4.90 -2.163302667e-01 -2.163302667e-01 4.92 -2.078951593e-01 -2.078951593e-01 4.94 -1.996537722e-01 -1.996537722e-01 4.96 -1.916140896e-01 -1.916140896e-01 4.98 -1.837857871e-01 -1.837857871e-01 5.00 -1.761796653e-01 -1.761796653e-01 5.02 -1.688069679e-01 -1.688069679e-01 5.04 -1.616786303e-01 -1.616786303e-01 5.06 -1.548045187e-01 -1.548045187e-01 5.08 -1.481927246e-01 -1.481927246e-01 5.10 -1.418489794e-01 -1.418489794e-01 5.12 -1.357762372e-01 -1.357762372e-01 5.14 -1.299744567e-01 -1.299744567e-01 5.16 -1.244405862e-01 -1.244405862e-01 5.18 -1.191687357e-01 -1.191687357e-01 5.20 -1.141504988e-01 -1.141504988e-01 5.22 -1.093753804e-01 -1.093753804e-01 5.24 -1.048312813e-01 -1.048312813e-01 5.26 -1.005049948e-01 -1.005049948e-01 5.28 -9.638267963e-02 -9.638267963e-02 5.30 -9.245028359e-02 -9.245028359e-02 5.32 -8.869390135e-02 -8.869390135e-02 5.34 -8.510005988e-02 -8.510005988e-02 5.36 -8.165593123e-02 -8.165593123e-02 5.38 -7.834947681e-02 -7.834947681e-02 5.40 -7.516953086e-02 -7.516953086e-02 5.42 -7.210583206e-02 -7.210583206e-02 5.44 -6.914901423e-02 -6.914901423e-02 5.46 -6.629056663e-02 -6.629056663e-02 5.48 -6.352277583e-02 -6.352277583e-02 5.50 -6.083866046e-02 -6.083866046e-02 5.52 -5.823191017e-02 -5.823191017e-02 5.54 -5.569683864e-02 -5.569683864e-02 5.56 -5.322835870e-02 -5.322835870e-02 5.58 -5.082198483e-02 -5.082198483e-02 5.60 -4.847385267e-02 -4.847385267e-02 5.62 -4.618077230e-02 -4.618077230e-02 5.64 -4.394029347e-02 -4.394029347e-02 5.66 -4.175077376e-02 -4.175077376e-02 5.68 -3.961143742e-02 -3.961143742e-02 5.70 -3.752241068e-02 -3.752241068e-02 5.72 -3.548472058e-02 -3.548472058e-02 5.74 -3.350024644e-02 -3.350024644e-02 5.76 -3.157158483e-02 -3.157158483e-02 5.78 -2.970166592e-02 -2.970166592e-02 5.80 -2.789349396e-02 -2.789349396e-02 5.82 -2.615116256e-02 -2.615116256e-02 5.84 -2.447866565e-02 -2.447866565e-02 5.86 -2.287958000e-02 -2.287958000e-02 5.88 -2.135683403e-02 -2.135683403e-02 5.90 -1.991252153e-02 -1.991252153e-02 5.92 -1.854777422e-02 -1.854777422e-02 5.94 -1.726270032e-02 -1.726270032e-02 5.96 -1.605638942e-02 -1.605638942e-02 5.98 -1.492697691e-02 -1.492697691e-02 6.00 -1.387175702e-02 -1.387175702e-02