# 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 = AgAuTi2 # 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 3.081964285e+02 3.081964285e+02 1.30 2.858064844e+02 2.858064844e+02 1.32 2.650777321e+02 2.650777321e+02 1.34 2.458778176e+02 2.458778176e+02 1.36 2.280845150e+02 2.280845150e+02 1.38 2.115855802e+02 2.115855802e+02 1.40 1.962789144e+02 1.962789144e+02 1.42 1.820719590e+02 1.820719590e+02 1.44 1.688804443e+02 1.688804443e+02 1.46 1.566271174e+02 1.566271174e+02 1.48 1.452409114e+02 1.452409114e+02 1.50 1.346566167e+02 1.346566167e+02 1.52 1.248146731e+02 1.248146731e+02 1.54 1.156607049e+02 1.156607049e+02 1.56 1.071447826e+02 1.071447826e+02 1.58 9.922063166e+01 9.922063166e+01 1.60 9.184506703e+01 9.184506703e+01 1.62 8.497778060e+01 8.497778060e+01 1.64 7.858133379e+01 7.858133379e+01 1.66 7.262112258e+01 7.262112258e+01 1.68 6.706528638e+01 6.706528638e+01 1.70 6.188464930e+01 6.188464930e+01 1.72 5.705264459e+01 5.705264459e+01 1.74 5.254507264e+01 5.254507264e+01 1.76 4.833969675e+01 4.833969675e+01 1.78 4.441586761e+01 4.441586761e+01 1.80 4.075838309e+01 4.075838309e+01 1.82 3.735777202e+01 3.735777202e+01 1.84 3.419739581e+01 3.419739581e+01 1.86 3.126055127e+01 3.126055127e+01 1.88 2.853177031e+01 2.853177031e+01 1.90 2.599683482e+01 2.599683482e+01 1.92 2.364264583e+01 2.364264583e+01 1.94 2.145706515e+01 2.145706515e+01 1.96 1.942874933e+01 1.942874933e+01 1.98 1.754700973e+01 1.754700973e+01 2.00 1.580173186e+01 1.580173186e+01 2.02 1.418335670e+01 1.418335670e+01 2.04 1.268289657e+01 1.268289657e+01 2.06 1.129195711e+01 1.129195711e+01 2.08 1.000275289e+01 1.000275289e+01 2.10 8.808111840e+00 8.808111840e+00 2.12 7.701457369e+00 7.701457369e+00 2.14 6.676761588e+00 6.676761588e+00 2.16 5.728476583e+00 5.728476583e+00 2.18 4.851460057e+00 4.851460057e+00 2.20 4.040910024e+00 4.040910024e+00 2.22 3.292315322e+00 3.292315322e+00 2.24 2.601425853e+00 2.601425853e+00 2.26 1.964242919e+00 1.964242919e+00 2.28 1.377024502e+00 1.377024502e+00 2.30 8.362948987e-01 8.362948987e-01 2.32 3.388447248e-01 3.388447248e-01 2.34 -1.182825940e-01 -1.182825940e-01 2.36 -5.378145398e-01 -5.378145398e-01 2.38 -9.222759375e-01 -9.222759375e-01 2.40 -1.274013877e+00 -1.274013877e+00 2.42 -1.595220168e+00 -1.595220168e+00 2.44 -1.887951055e+00 -1.887951055e+00 2.46 -2.154144579e+00 -2.154144579e+00 2.48 -2.395634809e+00 -2.395634809e+00 2.50 -2.614162587e+00 -2.614162587e+00 2.52 -2.811382420e+00 -2.811382420e+00 2.54 -2.988865757e+00 -2.988865757e+00 2.56 -3.148101645e+00 -3.148101645e+00 2.58 -3.290495771e+00 -3.290495771e+00 2.60 -3.417368187e+00 -3.417368187e+00 2.62 -3.529949288e+00 -3.529949288e+00 2.64 -3.629410089e+00 -3.629410089e+00 2.66 -3.716867718e+00 -3.716867718e+00 2.68 -3.793141083e+00 -3.793141083e+00 2.70 -3.858966151e+00 -3.858966151e+00 2.72 -3.915019597e+00 -3.915019597e+00 2.74 -3.961925535e+00 -3.961925535e+00 2.76 -4.000264042e+00 -4.000264042e+00 2.78 -4.030579302e+00 -4.030579302e+00 2.80 -4.053361300e+00 -4.053361300e+00 2.82 -4.068909085e+00 -4.068909085e+00 2.84 -4.077507980e+00 -4.077507980e+00 2.86 -4.079479943e+00 -4.079479943e+00 2.88 -4.075074667e+00 -4.075074667e+00 2.90 -4.064576700e+00 -4.064576700e+00 2.92 -4.048302273e+00 -4.048302273e+00 2.94 -4.026593872e+00 -4.026593872e+00 2.96 -3.999816528e+00 -3.999816528e+00 2.98 -3.968355906e+00 -3.968355906e+00 3.00 -3.932617134e+00 -3.932617134e+00 3.02 -3.893018257e+00 -3.893018257e+00 3.04 -3.850064095e+00 -3.850064095e+00 3.06 -3.804178501e+00 -3.804178501e+00 3.08 -3.755680036e+00 -3.755680036e+00 3.10 -3.704883427e+00 -3.704883427e+00 3.12 -3.652083778e+00 -3.652083778e+00 3.14 -3.597546205e+00 -3.597546205e+00 3.16 -3.541500955e+00 -3.541500955e+00 3.18 -3.484144595e+00 -3.484144595e+00 3.20 -3.425645286e+00 -3.425645286e+00 3.22 -3.366153286e+00 -3.366153286e+00 3.24 -3.305802564e+00 -3.305802564e+00 3.26 -3.244713344e+00 -3.244713344e+00 3.28 -3.182996309e+00 -3.182996309e+00 3.30 -3.120755479e+00 -3.120755479e+00 3.32 -3.058090065e+00 -3.058090065e+00 3.34 -2.995095654e+00 -2.995095654e+00 3.36 -2.931865039e+00 -2.931865039e+00 3.38 -2.868489005e+00 -2.868489005e+00 3.40 -2.805057235e+00 -2.805057235e+00 3.42 -2.741659658e+00 -2.741659658e+00 3.44 -2.678387829e+00 -2.678387829e+00 3.46 -2.615336805e+00 -2.615336805e+00 3.48 -2.552606736e+00 -2.552606736e+00 3.50 -2.490303897e+00 -2.490303897e+00 3.52 -2.428540520e+00 -2.428540520e+00 3.54 -2.367432929e+00 -2.367432929e+00 3.56 -2.307097782e+00 -2.307097782e+00 3.58 -2.247646720e+00 -2.247646720e+00 3.60 -2.189180288e+00 -2.189180288e+00 3.62 -2.131782307e+00 -2.131782307e+00 3.64 -2.075515845e+00 -2.075515845e+00 3.66 -2.020421535e+00 -2.020421535e+00 3.68 -1.966518330e+00 -1.966518330e+00 3.70 -1.913806238e+00 -1.913806238e+00 3.72 -1.862270261e+00 -1.862270261e+00 3.74 -1.811884725e+00 -1.811884725e+00 3.76 -1.762617353e+00 -1.762617353e+00 3.78 -1.714432709e+00 -1.714432709e+00 3.80 -1.667294865e+00 -1.667294865e+00 3.82 -1.621169293e+00 -1.621169293e+00 3.84 -1.576024094e+00 -1.576024094e+00 3.86 -1.531830680e+00 -1.531830680e+00 3.88 -1.488564027e+00 -1.488564027e+00 3.90 -1.446202619e+00 -1.446202619e+00 3.92 -1.404728111e+00 -1.404728111e+00 3.94 -1.364125087e+00 -1.364125087e+00 3.96 -1.324380211e+00 -1.324380211e+00 3.98 -1.285481879e+00 -1.285481879e+00 4.00 -1.247419618e+00 -1.247419618e+00 4.02 -1.210183586e+00 -1.210183586e+00 4.04 -1.173764188e+00 -1.173764188e+00 4.06 -1.138151795e+00 -1.138151795e+00 4.08 -1.103336614e+00 -1.103336614e+00 4.10 -1.069308574e+00 -1.069308574e+00 4.12 -1.036057975e+00 -1.036057975e+00 4.14 -1.003574968e+00 -1.003574968e+00 4.16 -9.718504686e-01 -9.718504686e-01 4.18 -9.408764258e-01 -9.408764258e-01 4.20 -9.106462285e-01 -9.106462285e-01 4.22 -8.811550525e-01 -8.811550525e-01 4.24 -8.524000750e-01 -8.524000750e-01 4.26 -8.243804948e-01 -8.243804948e-01 4.28 -7.970973135e-01 -7.970973135e-01 4.30 -7.705528548e-01 -7.705528548e-01 4.32 -7.447500393e-01 -7.447500393e-01 4.34 -7.196914686e-01 -7.196914686e-01 4.36 -6.953784105e-01 -6.953784105e-01 4.38 -6.718097978e-01 -6.718097978e-01 4.40 -6.489813572e-01 -6.489813572e-01 4.42 -6.268849648e-01 -6.268849648e-01 4.44 -6.055082912e-01 -6.055082912e-01 4.46 -5.848347541e-01 -5.848347541e-01 4.48 -5.648437527e-01 -5.648437527e-01 4.50 -5.455111277e-01 -5.455111277e-01 4.52 -5.268097708e-01 -5.268097708e-01 4.54 -5.087103076e-01 -5.087103076e-01 4.56 -4.911817858e-01 -4.911817858e-01 4.58 -4.741923210e-01 -4.741923210e-01 4.60 -4.577096694e-01 -4.577096694e-01 4.62 -4.417017194e-01 -4.417017194e-01 4.64 -4.261369055e-01 -4.261369055e-01 4.66 -4.109845615e-01 -4.109845615e-01 4.68 -3.962152327e-01 -3.962152327e-01 4.70 -3.818009721e-01 -3.818009721e-01 4.72 -3.677156417e-01 -3.677156417e-01 4.74 -3.539352363e-01 -3.539352363e-01 4.76 -3.404382429e-01 -3.404382429e-01 4.78 -3.272060402e-01 -3.272060402e-01 4.80 -3.142232485e-01 -3.142232485e-01 4.82 -3.014785267e-01 -3.014785267e-01 4.84 -2.889644750e-01 -2.889644750e-01 4.86 -2.766784071e-01 -2.766784071e-01 4.88 -2.646225466e-01 -2.646225466e-01 4.90 -2.528041687e-01 -2.528041687e-01 4.92 -2.412355278e-01 -2.412355278e-01 4.94 -2.299335216e-01 -2.299335216e-01 4.96 -2.189190556e-01 -2.189190556e-01 4.98 -2.082160994e-01 -2.082160994e-01 5.00 -1.978504640e-01 -1.978504640e-01 5.02 -1.878483611e-01 -1.878483611e-01 5.04 -1.782348503e-01 -1.782348503e-01 5.06 -1.690322973e-01 -1.690322973e-01 5.08 -1.602589815e-01 -1.602589815e-01 5.10 -1.519279770e-01 -1.519279770e-01 5.12 -1.440464001e-01 -1.440464001e-01 5.14 -1.366150732e-01 -1.366150732e-01 5.16 -1.296286040e-01 -1.296286040e-01 5.18 -1.230758291e-01 -1.230758291e-01 5.20 -1.169405452e-01 -1.169405452e-01 5.22 -1.112024283e-01 -1.112024283e-01 5.24 -1.058380358e-01 -1.058380358e-01 5.26 -1.008215660e-01 -1.008215660e-01 5.28 -9.612599605e-02 -9.612599605e-02 5.30 -9.172456209e-02 -9.172456209e-02 5.32 -8.759060206e-02 -8.759060206e-02 5.34 -8.369811396e-02 -8.369811396e-02 5.36 -8.002218095e-02 -8.002218095e-02 5.38 -7.653925560e-02 -7.653925560e-02 5.40 -7.322733064e-02 -7.322733064e-02 5.42 -7.006602418e-02 -7.006602418e-02 5.44 -6.703660486e-02 -6.703660486e-02 5.46 -6.412197959e-02 -6.412197959e-02 5.48 -6.130666245e-02 -6.130666245e-02 5.50 -5.857673978e-02 -5.857673978e-02 5.52 -5.591984242e-02 -5.591984242e-02 5.54 -5.332513274e-02 -5.332513274e-02 5.56 -5.078331044e-02 -5.078331044e-02 5.58 -4.828663786e-02 -4.828663786e-02 5.60 -4.582898172e-02 -4.582898172e-02 5.62 -4.340586521e-02 -4.340586521e-02 5.64 -4.101452063e-02 -4.101452063e-02 5.66 -3.865392995e-02 -3.865392995e-02 5.68 -3.632483848e-02 -3.632483848e-02 5.70 -3.402972591e-02 -3.402972591e-02 5.72 -3.177271976e-02 -3.177271976e-02 5.74 -2.955943958e-02 -2.955943958e-02 5.76 -2.739676543e-02 -2.739676543e-02 5.78 -2.529253243e-02 -2.529253243e-02 5.80 -2.325515938e-02 -2.325515938e-02 5.82 -2.129323329e-02 -2.129323329e-02 5.84 -1.941507517e-02 -1.941507517e-02 5.86 -1.762831771e-02 -1.762831771e-02 5.88 -1.593952674e-02 -1.593952674e-02 5.90 -1.435389477e-02 -1.435389477e-02 5.92 -1.287491980e-02 -1.287491980e-02 5.94 -1.150425746e-02 -1.150425746e-02 5.96 -1.024229173e-02 -1.024229173e-02 5.98 -9.087756871e-03 -9.087756871e-03 6.00 -8.037874426e-03 -8.037874426e-03