# 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 = AgMo2Ti # 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 3.028110907e+02 3.028110907e+02 1.30 2.803902121e+02 2.803902121e+02 1.32 2.596607892e+02 2.596607892e+02 1.34 2.404786804e+02 2.404786804e+02 1.36 2.227113034e+02 2.227113034e+02 1.38 2.062383135e+02 2.062383135e+02 1.40 1.909518576e+02 1.909518576e+02 1.42 1.767560092e+02 1.767560092e+02 1.44 1.635656121e+02 1.635656121e+02 1.46 1.513048630e+02 1.513048630e+02 1.48 1.399058768e+02 1.399058768e+02 1.50 1.293074719e+02 1.293074719e+02 1.52 1.194542354e+02 1.194542354e+02 1.54 1.102957526e+02 1.102957526e+02 1.56 1.017859017e+02 1.017859017e+02 1.58 9.388214230e+01 9.388214230e+01 1.60 8.654476863e+01 8.654476863e+01 1.62 7.973620507e+01 7.973620507e+01 1.64 7.342046502e+01 7.342046502e+01 1.66 6.756282794e+01 6.756282794e+01 1.68 6.212975599e+01 6.212975599e+01 1.70 5.708905998e+01 5.708905998e+01 1.72 5.241024658e+01 5.241024658e+01 1.74 4.806488187e+01 4.806488187e+01 1.76 4.402680736e+01 4.402680736e+01 1.78 4.027217137e+01 4.027217137e+01 1.80 3.678097383e+01 3.678097383e+01 1.82 3.353753150e+01 3.353753150e+01 1.84 3.052533244e+01 3.052533244e+01 1.86 2.772907332e+01 2.772907332e+01 1.88 2.513433677e+01 2.513433677e+01 1.90 2.272806506e+01 2.272806506e+01 1.92 2.049821218e+01 2.049821218e+01 1.94 1.843345168e+01 1.843345168e+01 1.96 1.652299337e+01 1.652299337e+01 1.98 1.475650776e+01 1.475650776e+01 2.00 1.312410813e+01 1.312410813e+01 2.02 1.161633602e+01 1.161633602e+01 2.04 1.022413134e+01 1.022413134e+01 2.06 8.938803099e+00 8.938803099e+00 2.08 7.752026183e+00 7.752026183e+00 2.10 6.655876952e+00 6.655876952e+00 2.12 5.642900572e+00 5.642900572e+00 2.14 4.706190033e+00 4.706190033e+00 2.16 3.839454467e+00 3.839454467e+00 2.18 3.037056878e+00 3.037056878e+00 2.20 2.294009051e+00 2.294009051e+00 2.22 1.605922184e+00 1.605922184e+00 2.24 9.689251194e-01 9.689251194e-01 2.26 3.795696795e-01 3.795696795e-01 2.28 -1.652577278e-01 -1.652577278e-01 2.30 -6.684056088e-01 -6.684056088e-01 2.32 -1.132505463e+00 -1.132505463e+00 2.34 -1.560000654e+00 -1.560000654e+00 2.36 -1.953164550e+00 -1.953164550e+00 2.38 -2.314114799e+00 -2.314114799e+00 2.40 -2.644828668e+00 -2.644828668e+00 2.42 -2.947159240e+00 -2.947159240e+00 2.44 -3.222849326e+00 -3.222849326e+00 2.46 -3.473540909e+00 -3.473540909e+00 2.48 -3.700779591e+00 -3.700779591e+00 2.50 -3.906015344e+00 -3.906015344e+00 2.52 -4.090601489e+00 -4.090601489e+00 2.54 -4.255793948e+00 -4.255793948e+00 2.56 -4.402751801e+00 -4.402751801e+00 2.58 -4.532329195e+00 -4.532329195e+00 2.60 -4.645534176e+00 -4.645534176e+00 2.62 -4.743531743e+00 -4.743531743e+00 2.64 -4.827381714e+00 -4.827381714e+00 2.66 -4.898051499e+00 -4.898051499e+00 2.68 -4.956428901e+00 -4.956428901e+00 2.70 -5.003335384e+00 -5.003335384e+00 2.72 -5.039572497e+00 -5.039572497e+00 2.74 -5.065723686e+00 -5.065723686e+00 2.76 -5.081914658e+00 -5.081914658e+00 2.78 -5.088276904e+00 -5.088276904e+00 2.80 -5.085011339e+00 -5.085011339e+00 2.82 -5.072380052e+00 -5.072380052e+00 2.84 -5.050701976e+00 -5.050701976e+00 2.86 -5.020352318e+00 -5.020352318e+00 2.88 -4.981763395e+00 -4.981763395e+00 2.90 -4.935378162e+00 -4.935378162e+00 2.92 -4.881656557e+00 -4.881656557e+00 2.94 -4.821142159e+00 -4.821142159e+00 2.96 -4.754459525e+00 -4.754459525e+00 2.98 -4.682301790e+00 -4.682301790e+00 3.00 -4.605411308e+00 -4.605411308e+00 3.02 -4.524552918e+00 -4.524552918e+00 3.04 -4.440480848e+00 -4.440480848e+00 3.06 -4.353902929e+00 -4.353902929e+00 3.08 -4.265539698e+00 -4.265539698e+00 3.10 -4.175882889e+00 -4.175882889e+00 3.12 -4.085198585e+00 -4.085198585e+00 3.14 -3.993642137e+00 -3.993642137e+00 3.16 -3.901265170e+00 -3.901265170e+00 3.18 -3.808032842e+00 -3.808032842e+00 3.20 -3.713846340e+00 -3.713846340e+00 3.22 -3.618571595e+00 -3.618571595e+00 3.24 -3.522073845e+00 -3.522073845e+00 3.26 -3.424228042e+00 -3.424228042e+00 3.28 -3.324936562e+00 -3.324936562e+00 3.30 -3.224148131e+00 -3.224148131e+00 3.32 -3.121874305e+00 -3.121874305e+00 3.34 -3.018203032e+00 -3.018203032e+00 3.36 -2.913308490e+00 -2.913308490e+00 3.38 -2.807456223e+00 -2.807456223e+00 3.40 -2.701002558e+00 -2.701002558e+00 3.42 -2.594387704e+00 -2.594387704e+00 3.44 -2.488122167e+00 -2.488122167e+00 3.46 -2.382767396e+00 -2.382767396e+00 3.48 -2.278911749e+00 -2.278911749e+00 3.50 -2.177143839e+00 -2.177143839e+00 3.52 -2.078025523e+00 -2.078025523e+00 3.54 -1.982066799e+00 -1.982066799e+00 3.56 -1.889704636e+00 -1.889704636e+00 3.58 -1.801287270e+00 -1.801287270e+00 3.60 -1.717064978e+00 -1.717064978e+00 3.62 -1.637187636e+00 -1.637187636e+00 3.64 -1.561708737e+00 -1.561708737e+00 3.66 -1.490594834e+00 -1.490594834e+00 3.68 -1.423738902e+00 -1.423738902e+00 3.70 -1.360975806e+00 -1.360975806e+00 3.72 -1.302098196e+00 -1.302098196e+00 3.74 -1.246871393e+00 -1.246871393e+00 3.76 -1.195046356e+00 -1.195046356e+00 3.78 -1.146370249e+00 -1.146370249e+00 3.80 -1.100594516e+00 -1.100594516e+00 3.82 -1.057480662e+00 -1.057480662e+00 3.84 -1.016804040e+00 -1.016804040e+00 3.86 -9.783560474e-01 -9.783560474e-01 3.88 -9.419450937e-01 -9.419450937e-01 3.90 -9.073966689e-01 -9.073966689e-01 3.92 -8.745527795e-01 -8.745527795e-01 3.94 -8.432711129e-01 -8.432711129e-01 3.96 -8.134237213e-01 -8.134237213e-01 3.98 -7.848958767e-01 -7.848958767e-01 4.00 -7.575847770e-01 -7.575847770e-01 4.02 -7.313983312e-01 -7.313983312e-01 4.04 -7.062540375e-01 -7.062540375e-01 4.06 -6.820779739e-01 -6.820779739e-01 4.08 -6.588039165e-01 -6.588039165e-01 4.10 -6.363725052e-01 -6.363725052e-01 4.12 -6.147309640e-01 -6.147309640e-01 4.14 -5.938320462e-01 -5.938320462e-01 4.16 -5.736340111e-01 -5.736340111e-01 4.18 -5.541001909e-01 -5.541001909e-01 4.20 -5.351987101e-01 -5.351987101e-01 4.22 -5.169022178e-01 -5.169022178e-01 4.24 -4.991875973e-01 -4.991875973e-01 4.26 -4.820356145e-01 -4.820356145e-01 4.28 -4.654304757e-01 -4.654304757e-01 4.30 -4.493592760e-01 -4.493592760e-01 4.32 -4.338113399e-01 -4.338113399e-01 4.34 -4.187774773e-01 -4.187774773e-01 4.36 -4.042491991e-01 -4.042491991e-01 4.38 -3.902179516e-01 -3.902179516e-01 4.40 -3.766744328e-01 -3.766744328e-01 4.42 -3.636080528e-01 -3.636080528e-01 4.44 -3.510065725e-01 -3.510065725e-01 4.46 -3.388559351e-01 -3.388559351e-01 4.48 -3.271400713e-01 -3.271400713e-01 4.50 -3.158415596e-01 -3.158415596e-01 4.52 -3.049417668e-01 -3.049417668e-01 4.54 -2.944209950e-01 -2.944209950e-01 4.56 -2.842588750e-01 -2.842588750e-01 4.58 -2.744347387e-01 -2.744347387e-01 4.60 -2.649279488e-01 -2.649279488e-01 4.62 -2.557181764e-01 -2.557181764e-01 4.64 -2.467856274e-01 -2.467856274e-01 4.66 -2.381112261e-01 -2.381112261e-01 4.68 -2.296767667e-01 -2.296767667e-01 4.70 -2.214650478e-01 -2.214650478e-01 4.72 -2.134600019e-01 -2.134600019e-01 4.74 -2.056468325e-01 -2.056468325e-01 4.76 -1.980121663e-01 -1.980121663e-01 4.78 -1.905442252e-01 -1.905442252e-01 4.80 -1.832329760e-01 -1.832329760e-01 4.82 -1.760705119e-01 -1.760705119e-01 4.84 -1.690509820e-01 -1.690509820e-01 4.86 -1.621709739e-01 -1.621709739e-01 4.88 -1.554296119e-01 -1.554296119e-01 4.90 -1.488286356e-01 -1.488286356e-01 4.92 -1.423723803e-01 -1.423723803e-01 4.94 -1.360676314e-01 -1.360676314e-01 4.96 -1.299233313e-01 -1.299233313e-01 4.98 -1.239501348e-01 -1.239501348e-01 5.00 -1.181598192e-01 -1.181598192e-01 5.02 -1.125645804e-01 -1.125645804e-01 5.04 -1.071762617e-01 -1.071762617e-01 5.06 -1.020055768e-01 -1.020055768e-01 5.08 -9.706133384e-02 -9.706133384e-02 5.10 -9.234982116e-02 -9.234982116e-02 5.12 -8.787473278e-02 -8.787473278e-02 5.14 -8.363668858e-02 -8.363668858e-02 5.16 -7.963320999e-02 -7.963320999e-02 5.18 -7.585890567e-02 -7.585890567e-02 5.20 -7.230580631e-02 -7.230580631e-02 5.22 -6.896379998e-02 -6.896379998e-02 5.24 -6.582111807e-02 -6.582111807e-02 5.26 -6.286482657e-02 -6.286482657e-02 5.28 -6.008128721e-02 -6.008128721e-02 5.30 -5.745656418e-02 -5.745656418e-02 5.32 -5.497676314e-02 -5.497676314e-02 5.34 -5.262829860e-02 -5.262829860e-02 5.36 -5.039809241e-02 -5.039809241e-02 5.38 -4.827371403e-02 -4.827371403e-02 5.40 -4.624346889e-02 -4.624346889e-02 5.42 -4.429644867e-02 -4.429644867e-02 5.44 -4.242255487e-02 -4.242255487e-02 5.46 -4.061250565e-02 -4.061250565e-02 5.48 -3.885783477e-02 -3.885783477e-02 5.50 -3.715088989e-02 -3.715088989e-02 5.52 -3.548483589e-02 -3.548483589e-02 5.54 -3.385366713e-02 -3.385366713e-02 5.56 -3.225222973e-02 -3.225222973e-02 5.58 -3.067625338e-02 -3.067625338e-02 5.60 -2.912239475e-02 -2.912239475e-02 5.62 -2.758828413e-02 -2.758828413e-02 5.64 -2.607257042e-02 -2.607257042e-02 5.66 -2.457495671e-02 -2.457495671e-02 5.68 -2.309621702e-02 -2.309621702e-02 5.70 -2.163818451e-02 -2.163818451e-02 5.72 -2.020370179e-02 -2.020370179e-02 5.74 -1.879652604e-02 -1.879652604e-02 5.76 -1.742118506e-02 -1.742118506e-02 5.78 -1.608264235e-02 -1.608264235e-02 5.80 -1.478628810e-02 -1.478628810e-02 5.82 -1.353774186e-02 -1.353774186e-02 5.84 -1.234242224e-02 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