# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Mn # implementation = 2025--Sharifi-H--Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuMnNi2 # 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 2025-07-01 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 1.170415000e+03 1.170415000e+03 1.00 1.080907593e+03 1.080907593e+03 1.02 9.923746057e+02 9.923746057e+02 1.04 9.065597730e+02 9.065597730e+02 1.06 8.246398930e+02 8.246398930e+02 1.08 7.473705305e+02 7.473705305e+02 1.10 6.751892848e+02 6.751892848e+02 1.12 6.082961702e+02 6.082961702e+02 1.14 5.467160988e+02 5.467160988e+02 1.16 4.903474191e+02 4.903474191e+02 1.18 4.389994318e+02 4.389994318e+02 1.20 3.924213045e+02 3.924213045e+02 1.22 3.503242353e+02 3.503242353e+02 1.24 3.123982871e+02 3.123982871e+02 1.26 2.783250638e+02 2.783250638e+02 1.28 2.477871044e+02 2.477871044e+02 1.30 2.204747058e+02 2.204747058e+02 1.32 1.960907375e+02 1.960907375e+02 1.34 1.743538854e+02 1.743538854e+02 1.36 1.550006775e+02 1.550006775e+02 1.38 1.377865755e+02 1.377865755e+02 1.40 1.224863641e+02 1.224863641e+02 1.42 1.088940116e+02 1.088940116e+02 1.44 9.682214065e+01 9.682214065e+01 1.46 8.610122481e+01 8.610122481e+01 1.48 7.657859904e+01 7.657859904e+01 1.50 6.811735260e+01 6.811735260e+01 1.52 6.059516371e+01 6.059516371e+01 1.54 5.390313804e+01 5.390313804e+01 1.56 4.794463065e+01 4.794463065e+01 1.58 4.263406338e+01 4.263406338e+01 1.60 3.789585890e+01 3.789585890e+01 1.62 3.366340761e+01 3.366340761e+01 1.64 2.987809880e+01 2.987809880e+01 1.66 2.648844217e+01 2.648844217e+01 1.68 2.344926254e+01 2.344926254e+01 1.70 2.072094518e+01 2.072094518e+01 1.72 1.826875208e+01 1.826875208e+01 1.74 1.606224044e+01 1.606224044e+01 1.76 1.407473986e+01 1.407473986e+01 1.78 1.228288403e+01 1.228288403e+01 1.80 1.066618709e+01 1.066618709e+01 1.82 9.206666735e+00 9.206666735e+00 1.84 7.888463654e+00 7.888463654e+00 1.86 6.697502440e+00 6.697502440e+00 1.88 5.621257702e+00 5.621257702e+00 1.90 4.648559703e+00 4.648559703e+00 1.92 3.769427103e+00 3.769427103e+00 1.94 2.974923074e+00 2.974923074e+00 1.96 2.257031494e+00 2.257031494e+00 1.98 1.608547801e+00 1.608547801e+00 2.00 1.022967185e+00 1.022967185e+00 2.02 4.943966819e-01 4.943966819e-01 2.04 1.749729896e-02 1.749729896e-02 2.06 -4.125670847e-01 -4.125670847e-01 2.08 -8.001763126e-01 -8.001763126e-01 2.10 -1.149278487e+00 -1.149278487e+00 2.12 -1.463390488e+00 -1.463390488e+00 2.14 -1.745693243e+00 -1.745693243e+00 2.16 -1.999076802e+00 -1.999076802e+00 2.18 -2.226165573e+00 -2.226165573e+00 2.20 -2.429341173e+00 -2.429341173e+00 2.22 -2.610767375e+00 -2.610767375e+00 2.24 -2.772410400e+00 -2.772410400e+00 2.26 -2.916056852e+00 -2.916056852e+00 2.28 -3.043329778e+00 -3.043329778e+00 2.30 -3.155633122e+00 -3.155633122e+00 2.32 -3.254082110e+00 -3.254082110e+00 2.34 -3.339689235e+00 -3.339689235e+00 2.36 -3.413398583e+00 -3.413398583e+00 2.38 -3.476089926e+00 -3.476089926e+00 2.40 -3.528582669e+00 -3.528582669e+00 2.42 -3.571639709e+00 -3.571639709e+00 2.44 -3.605971303e+00 -3.605971303e+00 2.46 -3.632239031e+00 -3.632239031e+00 2.48 -3.651060950e+00 -3.651060950e+00 2.50 -3.663014803e+00 -3.663014803e+00 2.52 -3.668640233e+00 -3.668640233e+00 2.54 -3.668441964e+00 -3.668441964e+00 2.56 -3.662892603e+00 -3.662892603e+00 2.58 -3.652435019e+00 -3.652435019e+00 2.60 -3.637484289e+00 -3.637484289e+00 2.62 -3.618429326e+00 -3.618429326e+00 2.64 -3.595634229e+00 -3.595634229e+00 2.66 -3.569439478e+00 -3.569439478e+00 2.68 -3.540163024e+00 -3.540163024e+00 2.70 -3.508101338e+00 -3.508101338e+00 2.72 -3.473530446e+00 -3.473530446e+00 2.74 -3.436706976e+00 -3.436706976e+00 2.76 -3.397869205e+00 -3.397869205e+00 2.78 -3.357238119e+00 -3.357238119e+00 2.80 -3.315018480e+00 -3.315018480e+00 2.82 -3.271399899e+00 -3.271399899e+00 2.84 -3.226557894e+00 -3.226557894e+00 2.86 -3.180654944e+00 -3.180654944e+00 2.88 -3.133841496e+00 -3.133841496e+00 2.90 -3.086256923e+00 -3.086256923e+00 2.92 -3.038030403e+00 -3.038030403e+00 2.94 -2.989281720e+00 -2.989281720e+00 2.96 -2.940121964e+00 -2.940121964e+00 2.98 -2.890654141e+00 -2.890654141e+00 3.00 -2.840973704e+00 -2.840973704e+00 3.02 -2.791163413e+00 -2.791163413e+00 3.04 -2.741240380e+00 -2.741240380e+00 3.06 -2.691269484e+00 -2.691269484e+00 3.08 -2.641571785e+00 -2.641571785e+00 3.10 -2.592041982e+00 -2.592041982e+00 3.12 -2.542735317e+00 -2.542735317e+00 3.14 -2.493705270e+00 -2.493705270e+00 3.16 -2.445000605e+00 -2.445000605e+00 3.18 -2.396665673e+00 -2.396665673e+00 3.20 -2.348740690e+00 -2.348740690e+00 3.22 -2.301262017e+00 -2.301262017e+00 3.24 -2.254262413e+00 -2.254262413e+00 3.26 -2.207771284e+00 -2.207771284e+00 3.28 -2.161814912e+00 -2.161814912e+00 3.30 -2.116416667e+00 -2.116416667e+00 3.32 -2.071597215e+00 -2.071597215e+00 3.34 -2.027374708e+00 -2.027374708e+00 3.36 -1.983764956e+00 -1.983764956e+00 3.38 -1.940781603e+00 -1.940781603e+00 3.40 -1.898436274e+00 -1.898436274e+00 3.42 -1.856738730e+00 -1.856738730e+00 3.44 -1.815697001e+00 -1.815697001e+00 3.46 -1.775317515e+00 -1.775317515e+00 3.48 -1.735605219e+00 -1.735605219e+00 3.50 -1.696563694e+00 -1.696563694e+00 3.52 -1.658195254e+00 -1.658195254e+00 3.54 -1.620501055e+00 -1.620501055e+00 3.56 -1.583481179e+00 -1.583481179e+00 3.58 -1.547134722e+00 -1.547134722e+00 3.60 -1.511459879e+00 -1.511459879e+00 3.62 -1.476454016e+00 -1.476454016e+00 3.64 -1.442113742e+00 -1.442113742e+00 3.66 -1.408434976e+00 -1.408434976e+00 3.68 -1.375413006e+00 -1.375413006e+00 3.70 -1.343042549e+00 -1.343042549e+00 3.72 -1.311317806e+00 -1.311317806e+00 3.74 -1.280232507e+00 -1.280232507e+00 3.76 -1.249779965e+00 -1.249779965e+00 3.78 -1.219953114e+00 -1.219953114e+00 3.80 -1.190744553e+00 -1.190744553e+00 3.82 -1.162146582e+00 -1.162146582e+00 3.84 -1.134151240e+00 -1.134151240e+00 3.86 -1.106750333e+00 -1.106750333e+00 3.88 -1.079935472e+00 -1.079935472e+00 3.90 -1.053698092e+00 -1.053698092e+00 3.92 -1.028029487e+00 -1.028029487e+00 3.94 -1.002920831e+00 -1.002920831e+00 3.96 -9.783631990e-01 -9.783631990e-01 3.98 -9.543475905e-01 -9.543475905e-01 4.00 -9.308649481e-01 -9.308649481e-01 4.02 -9.079061755e-01 -9.079061755e-01 4.04 -8.854621541e-01 -8.854621541e-01 4.06 -8.635237583e-01 -8.635237583e-01 4.08 -8.420818695e-01 -8.420818695e-01 4.10 -8.211273893e-01 -8.211273893e-01 4.12 -8.006512510e-01 -8.006512510e-01 4.14 -7.806444308e-01 -7.806444308e-01 4.16 -7.610979576e-01 -7.610979576e-01 4.18 -7.420029219e-01 -7.420029219e-01 4.20 -7.233504844e-01 -7.233504844e-01 4.22 -7.051318833e-01 -7.051318833e-01 4.24 -6.873384408e-01 -6.873384408e-01 4.26 -6.698756818e-01 -6.698756818e-01 4.28 -6.510364947e-01 -6.510364947e-01 4.30 -6.263463717e-01 -6.263463717e-01 4.32 -5.948168134e-01 -5.948168134e-01 4.34 -5.753827762e-01 -5.753827762e-01 4.36 -5.610933988e-01 -5.610933988e-01 4.38 -5.471269655e-01 -5.471269655e-01 4.40 -5.334772728e-01 -5.334772728e-01 4.42 -5.201381898e-01 -5.201381898e-01 4.44 -5.071036605e-01 -5.071036605e-01 4.46 -4.943677049e-01 -4.943677049e-01 4.48 -4.819244216e-01 -4.819244216e-01 4.50 -4.697679881e-01 -4.697679881e-01 4.52 -4.578926627e-01 -4.578926627e-01 4.54 -4.462927850e-01 -4.462927850e-01 4.56 -4.349627771e-01 -4.349627771e-01 4.58 -4.238971437e-01 -4.238971437e-01 4.60 -4.130904729e-01 -4.130904729e-01 4.62 -4.025374363e-01 -4.025374363e-01 4.64 -3.922327894e-01 -3.922327894e-01 4.66 -3.821713713e-01 -3.821713713e-01 4.68 -3.723481052e-01 -3.723481052e-01 4.70 -3.627579974e-01 -3.627579974e-01 4.72 -3.533961380e-01 -3.533961380e-01 4.74 -3.442576998e-01 -3.442576998e-01 4.76 -3.353379382e-01 -3.353379382e-01 4.78 -3.266321906e-01 -3.266321906e-01 4.80 -3.181358758e-01 -3.181358758e-01 4.82 -3.098444935e-01 -3.098444935e-01 4.84 -3.017536236e-01 -3.017536236e-01 4.86 -2.938589253e-01 -2.938589253e-01 4.88 -2.861561365e-01 -2.861561365e-01 4.90 -2.786410727e-01 -2.786410727e-01 4.92 -2.706117071e-01 -2.706117071e-01 4.94 -2.533490631e-01 -2.533490631e-01 4.96 -2.053975664e-01 -2.053975664e-01 4.98 -1.052014762e-01 -1.052014762e-01 5.00 -5.014215594e-23 -5.008889689e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 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