# 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 = AgCuZr2 # 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 2.880453665e+02 2.880453665e+02 1.30 2.673611506e+02 2.673611506e+02 1.32 2.481894779e+02 2.481894779e+02 1.34 2.304129077e+02 2.304129077e+02 1.36 2.139230197e+02 2.139230197e+02 1.38 1.986201455e+02 1.986201455e+02 1.40 1.844129103e+02 1.844129103e+02 1.42 1.712170608e+02 1.712170608e+02 1.44 1.589542643e+02 1.589542643e+02 1.46 1.475518684e+02 1.475518684e+02 1.48 1.369434514e+02 1.369434514e+02 1.50 1.270690032e+02 1.270690032e+02 1.52 1.178742536e+02 1.178742536e+02 1.54 1.093095418e+02 1.093095418e+02 1.56 1.013289950e+02 1.013289950e+02 1.58 9.389036749e+01 9.389036749e+01 1.60 8.695511329e+01 8.695511329e+01 1.62 8.048821634e+01 8.048821634e+01 1.64 7.445773228e+01 7.445773228e+01 1.66 6.883426368e+01 6.883426368e+01 1.68 6.359057559e+01 6.359057559e+01 1.70 5.870147623e+01 5.870147623e+01 1.72 5.414366549e+01 5.414366549e+01 1.74 4.989550446e+01 4.989550446e+01 1.76 4.593668490e+01 4.593668490e+01 1.78 4.224797376e+01 4.224797376e+01 1.80 3.881103636e+01 3.881103636e+01 1.82 3.560839909e+01 3.560839909e+01 1.84 3.262337671e+01 3.262337671e+01 1.86 2.984020920e+01 2.984020920e+01 1.88 2.724499826e+01 2.724499826e+01 1.90 2.482476505e+01 2.482476505e+01 1.92 2.256739090e+01 2.256739090e+01 1.94 2.046211361e+01 2.046211361e+01 1.96 1.849991938e+01 1.849991938e+01 1.98 1.667188476e+01 1.667188476e+01 2.00 1.496967508e+01 1.496967508e+01 2.02 1.338557915e+01 1.338557915e+01 2.04 1.191237464e+01 1.191237464e+01 2.06 1.054319581e+01 1.054319581e+01 2.08 9.271425039e+00 9.271425039e+00 2.10 8.090646975e+00 8.090646975e+00 2.12 6.994675781e+00 6.994675781e+00 2.14 5.977621065e+00 5.977621065e+00 2.16 5.033981755e+00 5.033981755e+00 2.18 4.158688312e+00 4.158688312e+00 2.20 3.347100927e+00 3.347100927e+00 2.22 2.594941376e+00 2.594941376e+00 2.24 1.898233232e+00 1.898233232e+00 2.26 1.253269673e+00 1.253269673e+00 2.28 6.565940160e-01 6.565940160e-01 2.30 1.050318595e-01 1.050318595e-01 2.32 -4.043525373e-01 -4.043525373e-01 2.34 -8.742353559e-01 -8.742353559e-01 2.36 -1.307092239e+00 -1.307092239e+00 2.38 -1.705226634e+00 -1.705226634e+00 2.40 -2.070805763e+00 -2.070805763e+00 2.42 -2.405902478e+00 -2.405902478e+00 2.44 -2.712516969e+00 -2.712516969e+00 2.46 -2.992600804e+00 -2.992600804e+00 2.48 -3.248054422e+00 -3.248054422e+00 2.50 -3.480709376e+00 -3.480709376e+00 2.52 -3.692300655e+00 -3.692300655e+00 2.54 -3.884438697e+00 -3.884438697e+00 2.56 -4.058589715e+00 -4.058589715e+00 2.58 -4.216070243e+00 -4.216070243e+00 2.60 -4.358057405e+00 -4.358057405e+00 2.62 -4.485607508e+00 -4.485607508e+00 2.64 -4.599698583e+00 -4.599698583e+00 2.66 -4.701316525e+00 -4.701316525e+00 2.68 -4.791328571e+00 -4.791328571e+00 2.70 -4.870425936e+00 -4.870425936e+00 2.72 -4.939297289e+00 -4.939297289e+00 2.74 -4.998619619e+00 -4.998619619e+00 2.76 -5.049046028e+00 -5.049046028e+00 2.78 -5.091190477e+00 -5.091190477e+00 2.80 -5.125630246e+00 -5.125630246e+00 2.82 -5.152856903e+00 -5.152856903e+00 2.84 -5.173115774e+00 -5.173115774e+00 2.86 -5.186564588e+00 -5.186564588e+00 2.88 -5.193393312e+00 -5.193393312e+00 2.90 -5.193823180e+00 -5.193823180e+00 2.92 -5.188104832e+00 -5.188104832e+00 2.94 -5.176515661e+00 -5.176515661e+00 2.96 -5.159356011e+00 -5.159356011e+00 2.98 -5.136944361e+00 -5.136944361e+00 3.00 -5.109611822e+00 -5.109611822e+00 3.02 -5.077696426e+00 -5.077696426e+00 3.04 -5.041533151e+00 -5.041533151e+00 3.06 -5.001468099e+00 -5.001468099e+00 3.08 -4.957824316e+00 -4.957824316e+00 3.10 -4.911012587e+00 -4.911012587e+00 3.12 -4.861403145e+00 -4.861403145e+00 3.14 -4.809167534e+00 -4.809167534e+00 3.16 -4.754469818e+00 -4.754469818e+00 3.18 -4.697481484e+00 -4.697481484e+00 3.20 -4.638373502e+00 -4.638373502e+00 3.22 -4.577314012e+00 -4.577314012e+00 3.24 -4.514467988e+00 -4.514467988e+00 3.26 -4.449999014e+00 -4.449999014e+00 3.28 -4.384072292e+00 -4.384072292e+00 3.30 -4.316864647e+00 -4.316864647e+00 3.32 -4.248593772e+00 -4.248593772e+00 3.34 -4.179509256e+00 -4.179509256e+00 3.36 -4.109735108e+00 -4.109735108e+00 3.38 -4.039386512e+00 -4.039386512e+00 3.40 -3.968573122e+00 -3.968573122e+00 3.42 -3.897403114e+00 -3.897403114e+00 3.44 -3.825970171e+00 -3.825970171e+00 3.46 -3.754362603e+00 -3.754362603e+00 3.48 -3.682662473e+00 -3.682662473e+00 3.50 -3.610946893e+00 -3.610946893e+00 3.52 -3.539289607e+00 -3.539289607e+00 3.54 -3.467763624e+00 -3.467763624e+00 3.56 -3.396437293e+00 -3.396437293e+00 3.58 -3.325372519e+00 -3.325372519e+00 3.60 -3.254624118e+00 -3.254624118e+00 3.62 -3.184239392e+00 -3.184239392e+00 3.64 -3.114258130e+00 -3.114258130e+00 3.66 -3.044713181e+00 -3.044713181e+00 3.68 -2.975631707e+00 -2.975631707e+00 3.70 -2.907037158e+00 -2.907037158e+00 3.72 -2.838951962e+00 -2.838951962e+00 3.74 -2.771400797e+00 -2.771400797e+00 3.76 -2.704414233e+00 -2.704414233e+00 3.78 -2.638032308e+00 -2.638032308e+00 3.80 -2.572307525e+00 -2.572307525e+00 3.82 -2.507306598e+00 -2.507306598e+00 3.84 -2.443110331e+00 -2.443110331e+00 3.86 -2.379811211e+00 -2.379811211e+00 3.88 -2.317508671e+00 -2.317508671e+00 3.90 -2.256302500e+00 -2.256302500e+00 3.92 -2.196281890e+00 -2.196281890e+00 3.94 -2.137532916e+00 -2.137532916e+00 3.96 -2.080109884e+00 -2.080109884e+00 3.98 -2.024048466e+00 -2.024048466e+00 4.00 -1.969360853e+00 -1.969360853e+00 4.02 -1.916037634e+00 -1.916037634e+00 4.04 -1.864051366e+00 -1.864051366e+00 4.06 -1.813361008e+00 -1.813361008e+00 4.08 -1.763916482e+00 -1.763916482e+00 4.10 -1.715655941e+00 -1.715655941e+00 4.12 -1.668538042e+00 -1.668538042e+00 4.14 -1.622499169e+00 -1.622499169e+00 4.16 -1.577487345e+00 -1.577487345e+00 4.18 -1.533455080e+00 -1.533455080e+00 4.20 -1.490360257e+00 -1.490360257e+00 4.22 -1.448166711e+00 -1.448166711e+00 4.24 -1.406844586e+00 -1.406844586e+00 4.26 -1.366370543e+00 -1.366370543e+00 4.28 -1.326727838e+00 -1.326727838e+00 4.30 -1.287906272e+00 -1.287906272e+00 4.32 -1.249901979e+00 -1.249901979e+00 4.34 -1.212717014e+00 -1.212717014e+00 4.36 -1.176358709e+00 -1.176358709e+00 4.38 -1.140838764e+00 -1.140838764e+00 4.40 -1.106172079e+00 -1.106172079e+00 4.42 -1.072375342e+00 -1.072375342e+00 4.44 -1.039465454e+00 -1.039465454e+00 4.46 -1.007457880e+00 -1.007457880e+00 4.48 -9.763650482e-01 -9.763650482e-01 4.50 -9.461949451e-01 -9.461949451e-01 4.52 -9.169500155e-01 -9.169500155e-01 4.54 -8.886264678e-01 -8.886264678e-01 4.56 -8.612140244e-01 -8.612140244e-01 4.58 -8.346961087e-01 -8.346961087e-01 4.60 -8.090504110e-01 -8.090504110e-01 4.62 -7.842497427e-01 -7.842497427e-01 4.64 -7.602630711e-01 -7.602630711e-01 4.66 -7.370566286e-01 -7.370566286e-01 4.68 -7.145950069e-01 -7.145950069e-01 4.70 -6.928421698e-01 -6.928421698e-01 4.72 -6.717623425e-01 -6.717623425e-01 4.74 -6.513207581e-01 -6.513207581e-01 4.76 -6.314842613e-01 -6.314842613e-01 4.78 -6.122217767e-01 -6.122217767e-01 4.80 -5.934985037e-01 -5.934985037e-01 4.82 -5.753018226e-01 -5.753018226e-01 4.84 -5.576012101e-01 -5.576012101e-01 4.86 -5.403764449e-01 -5.403764449e-01 4.88 -5.236101776e-01 -5.236101776e-01 4.90 -5.072878313e-01 -5.072878313e-01 4.92 -4.913974159e-01 -4.913974159e-01 4.94 -4.759292529e-01 -4.759292529e-01 4.96 -4.608756125e-01 -4.608756125e-01 4.98 -4.462302733e-01 -4.462302733e-01 5.00 -4.319880207e-01 -4.319880207e-01 5.02 -4.181441119e-01 -4.181441119e-01 5.04 -4.046937396e-01 -4.046937396e-01 5.06 -3.916315327e-01 -3.916315327e-01 5.08 -3.789511310e-01 -3.789511310e-01 5.10 -3.666448636e-01 -3.666448636e-01 5.12 -3.547035551e-01 -3.547035551e-01 5.14 -3.431164690e-01 -3.431164690e-01 5.16 -3.318713886e-01 -3.318713886e-01 5.18 -3.209548220e-01 -3.209548220e-01 5.20 -3.103523137e-01 -3.103523137e-01 5.22 -3.000488376e-01 -3.000488376e-01 5.24 -2.900292471e-01 -2.900292471e-01 5.26 -2.802787556e-01 -2.802787556e-01 5.28 -2.707834236e-01 -2.707834236e-01 5.30 -2.615306295e-01 -2.615306295e-01 5.32 -2.525095005e-01 -2.525095005e-01 5.34 -2.437112803e-01 -2.437112803e-01 5.36 -2.351296085e-01 -2.351296085e-01 5.38 -2.267606889e-01 -2.267606889e-01 5.40 -2.186033215e-01 -2.186033215e-01 5.42 -2.106587827e-01 -2.106587827e-01 5.44 -2.029305443e-01 -2.029305443e-01 5.46 -1.954238368e-01 -1.954238368e-01 5.48 -1.881450778e-01 -1.881450778e-01 5.50 -1.811012026e-01 -1.811012026e-01 5.52 -1.742989511e-01 -1.742989511e-01 5.54 -1.677441689e-01 -1.677441689e-01 5.56 -1.614411838e-01 -1.614411838e-01 5.58 -1.553923084e-01 -1.553923084e-01 5.60 -1.495973757e-01 -1.495973757e-01 5.62 -1.440535819e-01 -1.440535819e-01 5.64 -1.387561227e-01 -1.387561227e-01 5.66 -1.336978259e-01 -1.336978259e-01 5.68 -1.288694209e-01 -1.288694209e-01 5.70 -1.242599183e-01 -1.242599183e-01 5.72 -1.198570235e-01 -1.198570235e-01 5.74 -1.156475451e-01 -1.156475451e-01 5.76 -1.116177734e-01 -1.116177734e-01 5.78 -1.077538092e-01 -1.077538092e-01 5.80 -1.040418353e-01 -1.040418353e-01 5.82 -1.004683284e-01 -1.004683284e-01 5.84 -9.702021486e-02 -9.702021486e-02 5.86 -9.368497915e-02 -9.368497915e-02 5.88 -9.045073218e-02 -9.045073218e-02 5.90 -8.730625113e-02 -8.730625113e-02 5.92 -8.424099952e-02 -8.424099952e-02 5.94 -8.124513645e-02 -8.124513645e-02 5.96 -7.830952279e-02 -7.830952279e-02 5.98 -7.542573049e-02 -7.542573049e-02 6.00 -7.258606019e-02 -7.258606019e-02