# 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 = MgPbPt2 # 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 4.173570268e+02 4.173570268e+02 1.30 3.896194917e+02 3.896194917e+02 1.32 3.637355047e+02 3.637355047e+02 1.34 3.395666366e+02 3.395666366e+02 1.36 3.169875430e+02 3.169875430e+02 1.38 2.958846555e+02 2.958846555e+02 1.40 2.761556162e+02 2.761556162e+02 1.42 2.577085557e+02 2.577085557e+02 1.44 2.404584029e+02 2.404584029e+02 1.46 2.243227604e+02 2.243227604e+02 1.48 2.092217429e+02 2.092217429e+02 1.50 1.950804527e+02 1.950804527e+02 1.52 1.818298501e+02 1.818298501e+02 1.54 1.694052455e+02 1.694052455e+02 1.56 1.577449253e+02 1.577449253e+02 1.58 1.467901863e+02 1.467901863e+02 1.60 1.364862290e+02 1.364862290e+02 1.62 1.267828928e+02 1.267828928e+02 1.64 1.176350430e+02 1.176350430e+02 1.66 1.090027837e+02 1.090027837e+02 1.68 1.008517324e+02 1.008517324e+02 1.70 9.315311176e+01 9.315311176e+01 1.72 8.588307269e+01 8.588307269e+01 1.74 7.907046187e+01 7.907046187e+01 1.76 7.277287392e+01 7.277287392e+01 1.78 6.695341323e+01 6.695341323e+01 1.80 6.157398335e+01 6.157398335e+01 1.82 5.659864557e+01 5.659864557e+01 1.84 5.199513609e+01 5.199513609e+01 1.86 4.773542563e+01 4.773542563e+01 1.88 4.379523319e+01 4.379523319e+01 1.90 4.015278102e+01 4.015278102e+01 1.92 3.678743822e+01 3.678743822e+01 1.94 3.367885289e+01 3.367885289e+01 1.96 3.080691567e+01 3.080691567e+01 1.98 2.815226569e+01 2.815226569e+01 2.00 2.569688954e+01 2.569688954e+01 2.02 2.342447866e+01 2.342447866e+01 2.04 2.132047710e+01 2.132047710e+01 2.06 1.937191955e+01 1.937191955e+01 2.08 1.756718259e+01 1.756718259e+01 2.10 1.589573985e+01 1.589573985e+01 2.12 1.434794638e+01 1.434794638e+01 2.14 1.291488640e+01 1.291488640e+01 2.16 1.158828071e+01 1.158828071e+01 2.18 1.036044968e+01 1.036044968e+01 2.20 9.224305951e+00 9.224305951e+00 2.22 8.173351646e+00 8.173351646e+00 2.24 7.201661559e+00 7.201661559e+00 2.26 6.303849346e+00 6.303849346e+00 2.28 5.475015811e+00 5.475015811e+00 2.30 4.710693448e+00 4.710693448e+00 2.32 4.006777126e+00 4.006777126e+00 2.34 3.359458172e+00 3.359458172e+00 2.36 2.765159563e+00 2.765159563e+00 2.38 2.220478945e+00 2.220478945e+00 2.40 1.722142416e+00 1.722142416e+00 2.42 1.266972140e+00 1.266972140e+00 2.44 8.518701852e-01 8.518701852e-01 2.46 4.738182668e-01 4.738182668e-01 2.48 1.298894466e-01 1.298894466e-01 2.50 -1.838422298e-01 -1.838422298e-01 2.52 -4.716474842e-01 -4.716474842e-01 2.54 -7.353571421e-01 -7.353571421e-01 2.56 -9.767143633e-01 -9.767143633e-01 2.58 -1.197373253e+00 -1.197373253e+00 2.60 -1.398849039e+00 -1.398849039e+00 2.62 -1.582484521e+00 -1.582484521e+00 2.64 -1.749444941e+00 -1.749444941e+00 2.66 -1.900728984e+00 -1.900728984e+00 2.68 -2.037201621e+00 -2.037201621e+00 2.70 -2.159626370e+00 -2.159626370e+00 2.72 -2.268693928e+00 -2.268693928e+00 2.74 -2.365042830e+00 -2.365042830e+00 2.76 -2.449272394e+00 -2.449272394e+00 2.78 -2.521950167e+00 -2.521950167e+00 2.80 -2.583618309e+00 -2.583618309e+00 2.82 -2.634798558e+00 -2.634798558e+00 2.84 -2.676002709e+00 -2.676002709e+00 2.86 -2.707746150e+00 -2.707746150e+00 2.88 -2.730565786e+00 -2.730565786e+00 2.90 -2.745040078e+00 -2.745040078e+00 2.92 -2.751807212e+00 -2.751807212e+00 2.94 -2.751575896e+00 -2.751575896e+00 2.96 -2.745123062e+00 -2.745123062e+00 2.98 -2.733274910e+00 -2.733274910e+00 3.00 -2.716872042e+00 -2.716872042e+00 3.02 -2.696724766e+00 -2.696724766e+00 3.04 -2.673567922e+00 -2.673567922e+00 3.06 -2.648028786e+00 -2.648028786e+00 3.08 -2.620606116e+00 -2.620606116e+00 3.10 -2.591673726e+00 -2.591673726e+00 3.12 -2.561494295e+00 -2.561494295e+00 3.14 -2.530247635e+00 -2.530247635e+00 3.16 -2.498048945e+00 -2.498048945e+00 3.18 -2.464976308e+00 -2.464976308e+00 3.20 -2.431086198e+00 -2.431086198e+00 3.22 -2.396424580e+00 -2.396424580e+00 3.24 -2.361033271e+00 -2.361033271e+00 3.26 -2.324953157e+00 -2.324953157e+00 3.28 -2.288225724e+00 -2.288225724e+00 3.30 -2.250893904e+00 -2.250893904e+00 3.32 -2.213002691e+00 -2.213002691e+00 3.34 -2.174601206e+00 -2.174601206e+00 3.36 -2.135793058e+00 -2.135793058e+00 3.38 -2.096745991e+00 -2.096745991e+00 3.40 -2.057613535e+00 -2.057613535e+00 3.42 -2.018499601e+00 -2.018499601e+00 3.44 -1.979495895e+00 -1.979495895e+00 3.46 -1.940685136e+00 -1.940685136e+00 3.48 -1.902141735e+00 -1.902141735e+00 3.50 -1.863932197e+00 -1.863932197e+00 3.52 -1.826115265e+00 -1.826115265e+00 3.54 -1.788741950e+00 -1.788741950e+00 3.56 -1.751862327e+00 -1.751862327e+00 3.58 -1.715517915e+00 -1.715517915e+00 3.60 -1.679723658e+00 -1.679723658e+00 3.62 -1.644486543e+00 -1.644486543e+00 3.64 -1.609809814e+00 -1.609809814e+00 3.66 -1.575693329e+00 -1.575693329e+00 3.68 -1.542133993e+00 -1.542133993e+00 3.70 -1.509126220e+00 -1.509126220e+00 3.72 -1.476662377e+00 -1.476662377e+00 3.74 -1.444733169e+00 -1.444733169e+00 3.76 -1.413327585e+00 -1.413327585e+00 3.78 -1.382425501e+00 -1.382425501e+00 3.80 -1.351997585e+00 -1.351997585e+00 3.82 -1.322016243e+00 -1.322016243e+00 3.84 -1.292456020e+00 -1.292456020e+00 3.86 -1.263293579e+00 -1.263293579e+00 3.88 -1.234507736e+00 -1.234507736e+00 3.90 -1.206079559e+00 -1.206079559e+00 3.92 -1.177992256e+00 -1.177992256e+00 3.94 -1.150232585e+00 -1.150232585e+00 3.96 -1.122789345e+00 -1.122789345e+00 3.98 -1.095655127e+00 -1.095655127e+00 4.00 -1.068826535e+00 -1.068826535e+00 4.02 -1.042304843e+00 -1.042304843e+00 4.04 -1.016096675e+00 -1.016096675e+00 4.06 -9.902146019e-01 -9.902146019e-01 4.08 -9.646775067e-01 -9.646775067e-01 4.10 -9.395097732e-01 -9.395097732e-01 4.12 -9.147441583e-01 -9.147441583e-01 4.14 -8.904152175e-01 -8.904152175e-01 4.16 -8.665612915e-01 -8.665612915e-01 4.18 -8.432210529e-01 -8.432210529e-01 4.20 -8.204306811e-01 -8.204306811e-01 4.22 -7.982209305e-01 -7.982209305e-01 4.24 -7.766144409e-01 -7.766144409e-01 4.26 -7.556236178e-01 -7.556236178e-01 4.28 -7.352493287e-01 -7.352493287e-01 4.30 -7.154805278e-01 -7.154805278e-01 4.32 -6.962947709e-01 -6.962947709e-01 4.34 -6.776594583e-01 -6.776594583e-01 4.36 -6.595335613e-01 -6.595335613e-01 4.38 -6.418695679e-01 -6.418695679e-01 4.40 -6.246154124e-01 -6.246154124e-01 4.42 -6.077162132e-01 -6.077162132e-01 4.44 -5.911157201e-01 -5.911157201e-01 4.46 -5.747574384e-01 -5.747574384e-01 4.48 -5.585854582e-01 -5.585854582e-01 4.50 -5.425450523e-01 -5.425450523e-01 4.52 -5.265831293e-01 -5.265831293e-01 4.54 -5.106486372e-01 -5.106486372e-01 4.56 -4.946930099e-01 -4.946930099e-01 4.58 -4.786707385e-01 -4.786707385e-01 4.60 -4.625401370e-01 -4.625401370e-01 4.62 -4.462643473e-01 -4.462643473e-01 4.64 -4.298126060e-01 -4.298126060e-01 4.66 -4.131617598e-01 -4.131617598e-01 4.68 -3.962979785e-01 -3.962979785e-01 4.70 -3.792185712e-01 -3.792185712e-01 4.72 -3.619337599e-01 -3.619337599e-01 4.74 -3.444682269e-01 -3.444682269e-01 4.76 -3.268622143e-01 -3.268622143e-01 4.78 -3.091719471e-01 -3.091719471e-01 4.80 -2.914682946e-01 -2.914682946e-01 4.82 -2.738389104e-01 -2.738389104e-01 4.84 -2.563799610e-01 -2.563799610e-01 4.86 -2.391964794e-01 -2.391964794e-01 4.88 -2.223969218e-01 -2.223969218e-01 4.90 -2.060882919e-01 -2.060882919e-01 4.92 -1.903712177e-01 -1.903712177e-01 4.94 -1.753354228e-01 -1.753354228e-01 4.96 -1.610559940e-01 -1.610559940e-01 4.98 -1.475907414e-01 -1.475907414e-01 5.00 -1.349788077e-01 -1.349788077e-01 5.02 -1.232405300e-01 -1.232405300e-01 5.04 -1.123784210e-01 -1.123784210e-01 5.06 -1.023790408e-01 -1.023790408e-01 5.08 -9.321547566e-02 -9.321547566e-02 5.10 -8.485013690e-02 -8.485013690e-02 5.12 -7.723762035e-02 -7.723762035e-02 5.14 -7.032742040e-02 -7.032742040e-02 5.16 -6.406634639e-02 -6.406634639e-02 5.18 -5.840056483e-02 -5.840056483e-02 5.20 -5.327723149e-02 -5.327723149e-02 5.22 -4.864571197e-02 -4.864571197e-02 5.24 -4.445841844e-02 -4.445841844e-02 5.26 -4.067132558e-02 -4.067132558e-02 5.28 -3.724421712e-02 -3.724421712e-02 5.30 -3.414070432e-02 -3.414070432e-02 5.32 -3.132788834e-02 -3.132788834e-02 5.34 -2.877629077e-02 -2.877629077e-02 5.36 -2.646025860e-02 -2.646025860e-02 5.38 -2.435667830e-02 -2.435667830e-02 5.40 -2.244447989e-02 -2.244447989e-02 5.42 -2.070582398e-02 -2.070582398e-02 5.44 -1.912467636e-02 -1.912467636e-02 5.46 -1.768650522e-02 -1.768650522e-02 5.48 -1.637812247e-02 -1.637812247e-02 5.50 -1.518753499e-02 -1.518753499e-02 5.52 -1.410381019e-02 -1.410381019e-02 5.54 -1.311695737e-02 -1.311695737e-02 5.56 -1.221782548e-02 -1.221782548e-02 5.58 -1.139801669e-02 -1.139801669e-02 5.60 -1.064981474e-02 -1.064981474e-02 5.62 -9.966126395e-03 -9.966126395e-03 5.64 -9.340434088e-03 -9.340434088e-03 5.66 -8.766757259e-03 -8.766757259e-03 5.68 -8.239620322e-03 -8.239620322e-03 5.70 -7.754025008e-03 -7.754025008e-03 5.72 -7.305425395e-03 -7.305425395e-03 5.74 -6.889704290e-03 -6.889704290e-03 5.76 -6.503149700e-03 -6.503149700e-03 5.78 -6.142431457e-03 -6.142431457e-03 5.80 -5.804580625e-03 -5.804580625e-03 5.82 -5.486965026e-03 -5.486965026e-03 5.84 -5.187266485e-03 -5.187266485e-03 5.86 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