# 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 = AuMg2Ti # 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 3.849264505e+02 3.849264505e+02 1.30 3.568461414e+02 3.568461414e+02 1.32 3.308636363e+02 3.308636363e+02 1.34 3.068078471e+02 3.068078471e+02 1.36 2.845240831e+02 2.845240831e+02 1.38 2.638731975e+02 2.638731975e+02 1.40 2.447291761e+02 2.447291761e+02 1.42 2.269763018e+02 2.269763018e+02 1.44 2.105072669e+02 2.105072669e+02 1.46 1.952226082e+02 1.952226082e+02 1.48 1.810308843e+02 1.810308843e+02 1.50 1.678488478e+02 1.678488478e+02 1.52 1.556011064e+02 1.556011064e+02 1.54 1.442191272e+02 1.442191272e+02 1.56 1.336399825e+02 1.336399825e+02 1.58 1.238053583e+02 1.238053583e+02 1.60 1.146610229e+02 1.146610229e+02 1.62 1.061565855e+02 1.061565855e+02 1.64 9.824534814e+01 9.824534814e+01 1.66 9.088412509e+01 9.088412509e+01 1.68 8.403330801e+01 8.403330801e+01 1.70 7.766590678e+01 7.766590678e+01 1.72 7.175161900e+01 7.175161900e+01 1.74 6.625752197e+01 6.625752197e+01 1.76 6.115328050e+01 6.115328050e+01 1.78 5.641139785e+01 5.641139785e+01 1.80 5.200655337e+01 5.200655337e+01 1.82 4.791527168e+01 4.791527168e+01 1.84 4.411570024e+01 4.411570024e+01 1.86 4.058747774e+01 4.058747774e+01 1.88 3.731161811e+01 3.731161811e+01 1.90 3.427037904e+01 3.427037904e+01 1.92 3.144712889e+01 3.144712889e+01 1.94 2.882625310e+01 2.882625310e+01 1.96 2.639313612e+01 2.639313612e+01 1.98 2.413419670e+01 2.413419670e+01 2.00 2.203691795e+01 2.203691795e+01 2.02 2.008982033e+01 2.008982033e+01 2.04 1.828237754e+01 1.828237754e+01 2.06 1.660490770e+01 1.660490770e+01 2.08 1.504847221e+01 1.504847221e+01 2.10 1.360479864e+01 1.360479864e+01 2.12 1.226621867e+01 1.226621867e+01 2.14 1.102561335e+01 1.102561335e+01 2.16 9.876361145e+00 9.876361145e+00 2.18 8.812288523e+00 8.812288523e+00 2.20 7.827628406e+00 7.827628406e+00 2.22 6.916981193e+00 6.916981193e+00 2.24 6.075281702e+00 6.075281702e+00 2.26 5.297770747e+00 5.297770747e+00 2.28 4.579971500e+00 4.579971500e+00 2.30 3.917679618e+00 3.917679618e+00 2.32 3.306958919e+00 3.306958919e+00 2.34 2.744148856e+00 2.744148856e+00 2.36 2.225866884e+00 2.225866884e+00 2.38 1.749000662e+00 1.749000662e+00 2.40 1.310685282e+00 1.310685282e+00 2.42 9.082697464e-01 9.082697464e-01 2.44 5.392837154e-01 5.392837154e-01 2.46 2.014082357e-01 2.014082357e-01 2.48 -1.075440195e-01 -1.075440195e-01 2.50 -3.896909966e-01 -3.896909966e-01 2.52 -6.469756265e-01 -6.469756265e-01 2.54 -8.811766252e-01 -8.811766252e-01 2.56 -1.093983118e+00 -1.093983118e+00 2.58 -1.286991719e+00 -1.286991719e+00 2.60 -1.461703048e+00 -1.461703048e+00 2.62 -1.619517527e+00 -1.619517527e+00 2.64 -1.761726543e+00 -1.761726543e+00 2.66 -1.889494428e+00 -1.889494428e+00 2.68 -2.003768320e+00 -2.003768320e+00 2.70 -2.105361955e+00 -2.105361955e+00 2.72 -2.195047380e+00 -2.195047380e+00 2.74 -2.273557722e+00 -2.273557722e+00 2.76 -2.341591224e+00 -2.341591224e+00 2.78 -2.399814563e+00 -2.399814563e+00 2.80 -2.448866550e+00 -2.448866550e+00 2.82 -2.489355720e+00 -2.489355720e+00 2.84 -2.521859534e+00 -2.521859534e+00 2.86 -2.546932684e+00 -2.546932684e+00 2.88 -2.565110254e+00 -2.565110254e+00 2.90 -2.576909415e+00 -2.576909415e+00 2.92 -2.582830980e+00 -2.582830980e+00 2.94 -2.583360814e+00 -2.583360814e+00 2.96 -2.578971227e+00 -2.578971227e+00 2.98 -2.570122343e+00 -2.570122343e+00 3.00 -2.557262945e+00 -2.557262945e+00 3.02 -2.540829832e+00 -2.540829832e+00 3.04 -2.521244450e+00 -2.521244450e+00 3.06 -2.498908399e+00 -2.498908399e+00 3.08 -2.474194123e+00 -2.474194123e+00 3.10 -2.447439269e+00 -2.447439269e+00 3.12 -2.418941164e+00 -2.418941164e+00 3.14 -2.388957291e+00 -2.388957291e+00 3.16 -2.357704970e+00 -2.357704970e+00 3.18 -2.325368317e+00 -2.325368317e+00 3.20 -2.292104115e+00 -2.292104115e+00 3.22 -2.258048342e+00 -2.258048342e+00 3.24 -2.223321969e+00 -2.223321969e+00 3.26 -2.188035499e+00 -2.188035499e+00 3.28 -2.152291982e+00 -2.152291982e+00 3.30 -2.116188495e+00 -2.116188495e+00 3.32 -2.079818369e+00 -2.079818369e+00 3.34 -2.043298550e+00 -2.043298550e+00 3.36 -2.006690144e+00 -2.006690144e+00 3.38 -1.970033828e+00 -1.970033828e+00 3.40 -1.933368882e+00 -1.933368882e+00 3.42 -1.896733819e+00 -1.896733819e+00 3.44 -1.860167065e+00 -1.860167065e+00 3.46 -1.823709069e+00 -1.823709069e+00 3.48 -1.787403922e+00 -1.787403922e+00 3.50 -1.751298841e+00 -1.751298841e+00 3.52 -1.715416231e+00 -1.715416231e+00 3.54 -1.679761246e+00 -1.679761246e+00 3.56 -1.644351369e+00 -1.644351369e+00 3.58 -1.609212778e+00 -1.609212778e+00 3.60 -1.574375412e+00 -1.574375412e+00 3.62 -1.539868510e+00 -1.539868510e+00 3.64 -1.505717212e+00 -1.505717212e+00 3.66 -1.471940638e+00 -1.471940638e+00 3.68 -1.438551428e+00 -1.438551428e+00 3.70 -1.405556475e+00 -1.405556475e+00 3.72 -1.372958392e+00 -1.372958392e+00 3.74 -1.340757249e+00 -1.340757249e+00 3.76 -1.308952224e+00 -1.308952224e+00 3.78 -1.277542949e+00 -1.277542949e+00 3.80 -1.246530456e+00 -1.246530456e+00 3.82 -1.215917699e+00 -1.215917699e+00 3.84 -1.185709697e+00 -1.185709697e+00 3.86 -1.155913335e+00 -1.155913335e+00 3.88 -1.126536904e+00 -1.126536904e+00 3.90 -1.097589463e+00 -1.097589463e+00 3.92 -1.069079942e+00 -1.069079942e+00 3.94 -1.041017186e+00 -1.041017186e+00 3.96 -1.013408238e+00 -1.013408238e+00 3.98 -9.862587780e-01 -9.862587780e-01 4.00 -9.595727391e-01 -9.595727391e-01 4.02 -9.333523458e-01 -9.333523458e-01 4.04 -9.075983078e-01 -9.075983078e-01 4.06 -8.823101251e-01 -8.823101251e-01 4.08 -8.574864572e-01 -8.574864572e-01 4.10 -8.331248691e-01 -8.331248691e-01 4.12 -8.092249707e-01 -8.092249707e-01 4.14 -7.857844740e-01 -7.857844740e-01 4.16 -7.628026112e-01 -7.628026112e-01 4.18 -7.402796303e-01 -7.402796303e-01 4.20 -7.182170383e-01 -7.182170383e-01 4.22 -6.966177467e-01 -6.966177467e-01 4.24 -6.754860893e-01 -6.754860893e-01 4.26 -6.548276875e-01 -6.548276875e-01 4.28 -6.346491450e-01 -6.346491450e-01 4.30 -6.149575785e-01 -6.149575785e-01 4.32 -5.957600079e-01 -5.957600079e-01 4.34 -5.770626581e-01 -5.770626581e-01 4.36 -5.588702429e-01 -5.588702429e-01 4.38 -5.411853057e-01 -5.411853057e-01 4.40 -5.240076935e-01 -5.240076935e-01 4.42 -5.073342141e-01 -5.073342141e-01 4.44 -4.911585059e-01 -4.911585059e-01 4.46 -4.754711144e-01 -4.754711144e-01 4.48 -4.602597461e-01 -4.602597461e-01 4.50 -4.455096527e-01 -4.455096527e-01 4.52 -4.312040912e-01 -4.312040912e-01 4.54 -4.173248095e-01 -4.173248095e-01 4.56 -4.038525174e-01 -4.038525174e-01 4.58 -3.907673160e-01 -3.907673160e-01 4.60 -3.780490712e-01 -3.780490712e-01 4.62 -3.656777307e-01 -3.656777307e-01 4.64 -3.536335906e-01 -3.536335906e-01 4.66 -3.418975238e-01 -3.418975238e-01 4.68 -3.304511828e-01 -3.304511828e-01 4.70 -3.192771925e-01 -3.192771925e-01 4.72 -3.083593431e-01 -3.083593431e-01 4.74 -2.976827918e-01 -2.976827918e-01 4.76 -2.872342790e-01 -2.872342790e-01 4.78 -2.770023570e-01 -2.770023570e-01 4.80 -2.669772199e-01 -2.669772199e-01 4.82 -2.571526357e-01 -2.571526357e-01 4.84 -2.475234942e-01 -2.475234942e-01 4.86 -2.380878449e-01 -2.380878449e-01 4.88 -2.288465075e-01 -2.288465075e-01 4.90 -2.198030775e-01 -2.198030775e-01 4.92 -2.109638081e-01 -2.109638081e-01 4.94 -2.023373466e-01 -2.023373466e-01 4.96 -1.939343131e-01 -1.939343131e-01 4.98 -1.857667276e-01 -1.857667276e-01 5.00 -1.778473051e-01 -1.778473051e-01 5.02 -1.701886625e-01 -1.701886625e-01 5.04 -1.628024922e-01 -1.628024922e-01 5.06 -1.556987714e-01 -1.556987714e-01 5.08 -1.488850735e-01 -1.488850735e-01 5.10 -1.423660420e-01 -1.423660420e-01 5.12 -1.361430667e-01 -1.361430667e-01 5.14 -1.302141800e-01 -1.302141800e-01 5.16 -1.245741648e-01 -1.245741648e-01 5.18 -1.192148457e-01 -1.192148457e-01 5.20 -1.141255163e-01 -1.141255163e-01 5.22 -1.092934544e-01 -1.092934544e-01 5.24 -1.047044705e-01 -1.047044705e-01 5.26 -1.003434477e-01 -1.003434477e-01 5.28 -9.619483856e-02 -9.619483856e-02 5.30 -9.224309625e-02 -9.224309625e-02 5.32 -8.847302800e-02 -8.847302800e-02 5.34 -8.487006800e-02 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-2.275841743e-02 -2.275841743e-02 5.88 -2.124024507e-02 -2.124024507e-02 5.90 -1.980040496e-02 -1.980040496e-02 5.92 -1.844003465e-02 -1.844003465e-02 5.94 -1.715924836e-02 -1.715924836e-02 5.96 -1.595714165e-02 -1.595714165e-02 5.98 -1.483185582e-02 -1.483185582e-02 6.00 -1.378069067e-02 -1.378069067e-02