# 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 = AgPdTi2 # 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 2.975510940e+02 2.975510940e+02 1.30 2.759461569e+02 2.759461569e+02 1.32 2.559383442e+02 2.559383442e+02 1.34 2.374019533e+02 2.374019533e+02 1.36 2.202198549e+02 2.202198549e+02 1.38 2.042829614e+02 2.042829614e+02 1.40 1.894910075e+02 1.894910075e+02 1.42 1.757532526e+02 1.757532526e+02 1.44 1.629884035e+02 1.629884035e+02 1.46 1.511236380e+02 1.511236380e+02 1.48 1.400930594e+02 1.400930594e+02 1.50 1.298362169e+02 1.298362169e+02 1.52 1.202970774e+02 1.202970774e+02 1.54 1.114234294e+02 1.114234294e+02 1.56 1.031665329e+02 1.031665329e+02 1.58 9.548085604e+01 9.548085604e+01 1.60 8.832392943e+01 8.832392943e+01 1.62 8.165640865e+01 8.165640865e+01 1.64 7.544222606e+01 7.544222606e+01 1.66 6.964856964e+01 6.964856964e+01 1.68 6.424562081e+01 6.424562081e+01 1.70 5.920619048e+01 5.920619048e+01 1.72 5.450534109e+01 5.450534109e+01 1.74 5.011998336e+01 5.011998336e+01 1.76 4.602864347e+01 4.602864347e+01 1.78 4.221170671e+01 4.221170671e+01 1.80 3.866167190e+01 3.866167190e+01 1.82 3.536509026e+01 3.536509026e+01 1.84 3.230370229e+01 3.230370229e+01 1.86 2.946074832e+01 2.946074832e+01 1.88 2.682085960e+01 2.682085960e+01 1.90 2.436993945e+01 2.436993945e+01 1.92 2.209505320e+01 2.209505320e+01 1.94 1.998430600e+01 1.998430600e+01 1.96 1.802669846e+01 1.802669846e+01 1.98 1.621197522e+01 1.621197522e+01 2.00 1.453049616e+01 1.453049616e+01 2.02 1.297314876e+01 1.297314876e+01 2.04 1.153130368e+01 1.153130368e+01 2.06 1.019680873e+01 1.019680873e+01 2.08 8.962012621e+00 8.962012621e+00 2.10 7.819799861e+00 7.819799861e+00 2.12 6.763608786e+00 6.763608786e+00 2.14 5.787415311e+00 5.787415311e+00 2.16 4.885685805e+00 4.885685805e+00 2.18 4.053315391e+00 4.053315391e+00 2.20 3.285567108e+00 3.285567108e+00 2.22 2.578019488e+00 2.578019488e+00 2.24 1.926527825e+00 1.926527825e+00 2.26 1.327201994e+00 1.327201994e+00 2.28 7.763991551e-01 7.763991551e-01 2.30 2.707244251e-01 2.707244251e-01 2.32 -1.929722373e-01 -1.929722373e-01 2.34 -6.176066337e-01 -6.176066337e-01 2.36 -1.005878867e+00 -1.005878867e+00 2.38 -1.360295899e+00 -1.360295899e+00 2.40 -1.683196167e+00 -1.683196167e+00 2.42 -1.976774408e+00 -1.976774408e+00 2.44 -2.243103943e+00 -2.243103943e+00 2.46 -2.484154354e+00 -2.484154354e+00 2.48 -2.701801776e+00 -2.701801776e+00 2.50 -2.897830274e+00 -2.897830274e+00 2.52 -3.073924536e+00 -3.073924536e+00 2.54 -3.231657303e+00 -3.231657303e+00 2.56 -3.372477559e+00 -3.372477559e+00 2.58 -3.497705204e+00 -3.497705204e+00 2.60 -3.608544585e+00 -3.608544585e+00 2.62 -3.706181759e+00 -3.706181759e+00 2.64 -3.791515707e+00 -3.791515707e+00 2.66 -3.865327827e+00 -3.865327827e+00 2.68 -3.928351274e+00 -3.928351274e+00 2.70 -3.981273706e+00 -3.981273706e+00 2.72 -4.024740493e+00 -4.024740493e+00 2.74 -4.059358626e+00 -4.059358626e+00 2.76 -4.085696892e+00 -4.085696892e+00 2.78 -4.104175614e+00 -4.104175614e+00 2.80 -4.115214175e+00 -4.115214175e+00 2.82 -4.119351101e+00 -4.119351101e+00 2.84 -4.116793058e+00 -4.116793058e+00 2.86 -4.107785675e+00 -4.107785675e+00 2.88 -4.092624074e+00 -4.092624074e+00 2.90 -4.071647441e+00 -4.071647441e+00 2.92 -4.045232506e+00 -4.045232506e+00 2.94 -4.013785634e+00 -4.013785634e+00 2.96 -3.977735981e+00 -3.977735981e+00 2.98 -3.937554131e+00 -3.937554131e+00 3.00 -3.893734859e+00 -3.893734859e+00 3.02 -3.846800314e+00 -3.846800314e+00 3.04 -3.797274354e+00 -3.797274354e+00 3.06 -3.745497724e+00 -3.745497724e+00 3.08 -3.691783892e+00 -3.691783892e+00 3.10 -3.636418121e+00 -3.636418121e+00 3.12 -3.579649486e+00 -3.579649486e+00 3.14 -3.521688403e+00 -3.521688403e+00 3.16 -3.462708475e+00 -3.462708475e+00 3.18 -3.402852834e+00 -3.402852834e+00 3.20 -3.342245048e+00 -3.342245048e+00 3.22 -3.280995927e+00 -3.280995927e+00 3.24 -3.219204436e+00 -3.219204436e+00 3.26 -3.156962047e+00 -3.156962047e+00 3.28 -3.094355764e+00 -3.094355764e+00 3.30 -3.031469878e+00 -3.031469878e+00 3.32 -2.968386857e+00 -2.968386857e+00 3.34 -2.905187768e+00 -2.905187768e+00 3.36 -2.841952510e+00 -2.841952510e+00 3.38 -2.778760136e+00 -2.778760136e+00 3.40 -2.715689397e+00 -2.715689397e+00 3.42 -2.652819798e+00 -2.652819798e+00 3.44 -2.590232761e+00 -2.590232761e+00 3.46 -2.528013321e+00 -2.528013321e+00 3.48 -2.466251595e+00 -2.466251595e+00 3.50 -2.405043704e+00 -2.405043704e+00 3.52 -2.344491510e+00 -2.344491510e+00 3.54 -2.284700664e+00 -2.284700664e+00 3.56 -2.225776744e+00 -2.225776744e+00 3.58 -2.167819824e+00 -2.167819824e+00 3.60 -2.110918318e+00 -2.110918318e+00 3.62 -2.055143324e+00 -2.055143324e+00 3.64 -2.000544634e+00 -2.000544634e+00 3.66 -1.947149136e+00 -1.947149136e+00 3.68 -1.894961729e+00 -1.894961729e+00 3.70 -1.843968277e+00 -1.843968277e+00 3.72 -1.794139798e+00 -1.794139798e+00 3.74 -1.745437073e+00 -1.745437073e+00 3.76 -1.697815018e+00 -1.697815018e+00 3.78 -1.651226407e+00 -1.651226407e+00 3.80 -1.605624795e+00 -1.605624795e+00 3.82 -1.560966629e+00 -1.560966629e+00 3.84 -1.517212629e+00 -1.517212629e+00 3.86 -1.474328576e+00 -1.474328576e+00 3.88 -1.432285624e+00 -1.432285624e+00 3.90 -1.391060267e+00 -1.391060267e+00 3.92 -1.350634021e+00 -1.350634021e+00 3.94 -1.310993226e+00 -1.310993226e+00 3.96 -1.272128264e+00 -1.272128264e+00 3.98 -1.234033340e+00 -1.234033340e+00 4.00 -1.196706011e+00 -1.196706011e+00 4.02 -1.160146816e+00 -1.160146816e+00 4.04 -1.124358934e+00 -1.124358934e+00 4.06 -1.089347819e+00 -1.089347819e+00 4.08 -1.055120753e+00 -1.055120753e+00 4.10 -1.021686169e+00 -1.021686169e+00 4.12 -9.890534434e-01 -9.890534434e-01 4.14 -9.572312915e-01 -9.572312915e-01 4.16 -9.262274221e-01 -9.262274221e-01 4.18 -8.960475133e-01 -8.960475133e-01 4.20 -8.666944503e-01 -8.666944503e-01 4.22 -8.381677649e-01 -8.381677649e-01 4.24 -8.104633276e-01 -8.104633276e-01 4.26 -7.835733003e-01 -7.835733003e-01 4.28 -7.574863089e-01 -7.574863089e-01 4.30 -7.321877652e-01 -7.321877652e-01 4.32 -7.076602582e-01 -7.076602582e-01 4.34 -6.838839415e-01 -6.838839415e-01 4.36 -6.608368729e-01 -6.608368729e-01 4.38 -6.384952911e-01 -6.384952911e-01 4.40 -6.168338427e-01 -6.168338427e-01 4.42 -5.958257883e-01 -5.958257883e-01 4.44 -5.754432246e-01 -5.754432246e-01 4.46 -5.556573511e-01 -5.556573511e-01 4.48 -5.364387975e-01 -5.364387975e-01 4.50 -5.177580171e-01 -5.177580171e-01 4.52 -4.995857371e-01 -4.995857371e-01 4.54 -4.818934490e-01 -4.818934490e-01 4.56 -4.646539205e-01 -4.646539205e-01 4.58 -4.478417039e-01 -4.478417039e-01 4.60 -4.314336203e-01 -4.314336203e-01 4.62 -4.154091944e-01 -4.154091944e-01 4.64 -3.997510137e-01 -3.997510137e-01 4.66 -3.844449879e-01 -3.844449879e-01 4.68 -3.694804804e-01 -3.694804804e-01 4.70 -3.548502944e-01 -3.548502944e-01 4.72 -3.405505003e-01 -3.405505003e-01 4.74 -3.265801092e-01 -3.265801092e-01 4.76 -3.129406152e-01 -3.129406152e-01 4.78 -2.996354466e-01 -2.996354466e-01 4.80 -2.866693030e-01 -2.866693030e-01 4.82 -2.740479513e-01 -2.740479513e-01 4.84 -2.617772342e-01 -2.617772342e-01 4.86 -2.498631370e-01 -2.498631370e-01 4.88 -2.383115395e-01 -2.383115395e-01 4.90 -2.271282160e-01 -2.271282160e-01 4.92 -2.163189392e-01 -2.163189392e-01 4.94 -2.058896173e-01 -2.058896173e-01 4.96 -1.958463847e-01 -1.958463847e-01 4.98 -1.861955709e-01 -1.861955709e-01 5.00 -1.769434975e-01 -1.769434975e-01 5.02 -1.680960840e-01 -1.680960840e-01 5.04 -1.596582900e-01 -1.596582900e-01 5.06 -1.516334522e-01 -1.516334522e-01 5.08 -1.440226051e-01 -1.440226051e-01 5.10 -1.368238811e-01 -1.368238811e-01 5.12 -1.300320750e-01 -1.300320750e-01 5.14 -1.236384273e-01 -1.236384273e-01 5.16 -1.176306582e-01 -1.176306582e-01 5.18 -1.119932324e-01 -1.119932324e-01 5.20 -1.067078129e-01 -1.067078129e-01 5.22 -1.017535292e-01 -1.017535292e-01 5.24 -9.710811645e-02 -9.710811645e-02 5.26 -9.274888182e-02 -9.274888182e-02 5.28 -8.865263081e-02 -8.865263081e-02 5.30 -8.479624391e-02 -8.479624391e-02 5.32 -8.115714001e-02 -8.115714001e-02 5.34 -7.771362234e-02 -7.771362234e-02 5.36 -7.444511757e-02 -7.444511757e-02 5.38 -7.133232419e-02 -7.133232419e-02 5.40 -6.835728937e-02 -6.835728937e-02 5.42 -6.550343354e-02 -6.550343354e-02 5.44 -6.275554071e-02 -6.275554071e-02 5.46 -6.009973024e-02 -6.009973024e-02 5.48 -5.752342322e-02 -5.752342322e-02 5.50 -5.501531388e-02 -5.501531388e-02 5.52 -5.256535358e-02 -5.256535358e-02 5.54 -5.016475241e-02 -5.016475241e-02 5.56 -4.780600042e-02 -4.780600042e-02 5.58 -4.548290805e-02 -4.548290805e-02 5.60 -4.319066209e-02 -4.319066209e-02 5.62 -4.092589060e-02 -4.092589060e-02 5.64 -3.868672746e-02 -3.868672746e-02 5.66 -3.647286458e-02 -3.647286458e-02 5.68 -3.428557541e-02 -3.428557541e-02 5.70 -3.212769874e-02 -3.212769874e-02 5.72 -3.000356642e-02 -3.000356642e-02 5.74 -2.791886389e-02 -2.791886389e-02 5.76 -2.588041812e-02 -2.588041812e-02 5.78 -2.389591392e-02 -2.389591392e-02 5.80 -2.197355069e-02 -2.197355069e-02 5.82 -2.012165229e-02 -2.012165229e-02 5.84 -1.834825922e-02 -1.834825922e-02 5.86 -1.666073274e-02 -1.666073274e-02 5.88 -1.506540024e-02 -1.506540024e-02 5.90 -1.356726865e-02 -1.356726865e-02 5.92 -1.216974268e-02 -1.216974268e-02 5.94 -1.087449391e-02 -1.087449391e-02 5.96 -9.681900815e-03 -9.681900815e-03 5.98 -8.590776844e-03 -8.590776844e-03 6.00 -7.598506506e-03 -7.598506506e-03