# 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 = Mg2PdTa # 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 4.244745916e+02 4.244745916e+02 1.30 3.938481746e+02 3.938481746e+02 1.32 3.654727220e+02 3.654727220e+02 1.34 3.391659101e+02 3.391659101e+02 1.36 3.147634916e+02 3.147634916e+02 1.38 2.921165437e+02 2.921165437e+02 1.40 2.710894795e+02 2.710894795e+02 1.42 2.515591323e+02 2.515591323e+02 1.44 2.334143307e+02 2.334143307e+02 1.46 2.165549003e+02 2.165549003e+02 1.48 2.008896130e+02 2.008896130e+02 1.50 1.863336747e+02 1.863336747e+02 1.52 1.728067759e+02 1.728067759e+02 1.54 1.602323127e+02 1.602323127e+02 1.56 1.485377062e+02 1.485377062e+02 1.58 1.376551888e+02 1.376551888e+02 1.60 1.275224580e+02 1.275224580e+02 1.62 1.180829218e+02 1.180829218e+02 1.64 1.092855531e+02 1.092855531e+02 1.66 1.010844146e+02 1.010844146e+02 1.68 9.343874174e+01 9.343874174e+01 1.70 8.631507861e+01 8.631507861e+01 1.72 7.967870167e+01 7.967870167e+01 1.74 7.350215855e+01 7.350215855e+01 1.76 6.776543423e+01 6.776543423e+01 1.78 6.243806691e+01 6.243806691e+01 1.80 5.749145113e+01 5.749145113e+01 1.82 5.289934753e+01 5.289934753e+01 1.84 4.863748220e+01 4.863748220e+01 1.86 4.468334751e+01 4.468334751e+01 1.88 4.101597901e+01 4.101597901e+01 1.90 3.761573679e+01 3.761573679e+01 1.92 3.446411667e+01 3.446411667e+01 1.94 3.154360305e+01 3.154360305e+01 1.96 2.883757593e+01 2.883757593e+01 1.98 2.633026907e+01 2.633026907e+01 2.00 2.400678542e+01 2.400678542e+01 2.02 2.185316381e+01 2.185316381e+01 2.04 1.985647332e+01 1.985647332e+01 2.06 1.800489088e+01 1.800489088e+01 2.08 1.628772034e+01 1.628772034e+01 2.10 1.469534141e+01 1.469534141e+01 2.12 1.321909975e+01 1.321909975e+01 2.14 1.185117138e+01 1.185117138e+01 2.16 1.058442872e+01 1.058442872e+01 2.18 9.412321695e+00 9.412321695e+00 2.20 8.328780869e+00 8.328780869e+00 2.22 7.328136381e+00 7.328136381e+00 2.24 6.405053436e+00 6.405053436e+00 2.26 5.554480112e+00 5.554480112e+00 2.28 4.771602556e+00 4.771602556e+00 2.30 4.051811888e+00 4.051811888e+00 2.32 3.390711947e+00 3.390711947e+00 2.34 2.784154366e+00 2.784154366e+00 2.36 2.227819500e+00 2.227819500e+00 2.38 1.717569784e+00 1.717569784e+00 2.40 1.249537729e+00 1.249537729e+00 2.42 8.201560255e-01 8.201560255e-01 2.44 4.262238880e-01 4.262238880e-01 2.46 6.520796984e-02 6.520796984e-02 2.48 -2.651382892e-01 -2.651382892e-01 2.50 -5.669856669e-01 -5.669856669e-01 2.52 -8.423896713e-01 -8.423896713e-01 2.54 -1.093260697e+00 -1.093260697e+00 2.56 -1.321348054e+00 -1.321348054e+00 2.58 -1.528239032e+00 -1.528239032e+00 2.60 -1.715371282e+00 -1.715371282e+00 2.62 -1.884053421e+00 -1.884053421e+00 2.64 -2.035489831e+00 -2.035489831e+00 2.66 -2.170799284e+00 -2.170799284e+00 2.68 -2.291032282e+00 -2.291032282e+00 2.70 -2.397258401e+00 -2.397258401e+00 2.72 -2.490709048e+00 -2.490709048e+00 2.74 -2.572145327e+00 -2.572145327e+00 2.76 -2.642256899e+00 -2.642256899e+00 2.78 -2.701714449e+00 -2.701714449e+00 2.80 -2.751168100e+00 -2.751168100e+00 2.82 -2.791245305e+00 -2.791245305e+00 2.84 -2.822553306e+00 -2.822553306e+00 2.86 -2.845685001e+00 -2.845685001e+00 2.88 -2.861256038e+00 -2.861256038e+00 2.90 -2.869884241e+00 -2.869884241e+00 2.92 -2.872161128e+00 -2.872161128e+00 2.94 -2.868648639e+00 -2.868648639e+00 2.96 -2.859873829e+00 -2.859873829e+00 2.98 -2.846322708e+00 -2.846322708e+00 3.00 -2.828435104e+00 -2.828435104e+00 3.02 -2.806602083e+00 -2.806602083e+00 3.04 -2.781166414e+00 -2.781166414e+00 3.06 -2.752427495e+00 -2.752427495e+00 3.08 -2.720645889e+00 -2.720645889e+00 3.10 -2.686052251e+00 -2.686052251e+00 3.12 -2.648854851e+00 -2.648854851e+00 3.14 -2.609249982e+00 -2.609249982e+00 3.16 -2.567426993e+00 -2.567426993e+00 3.18 -2.523578364e+00 -2.523578364e+00 3.20 -2.477906197e+00 -2.477906197e+00 3.22 -2.430628259e+00 -2.430628259e+00 3.24 -2.381982301e+00 -2.381982301e+00 3.26 -2.332227870e+00 -2.332227870e+00 3.28 -2.281644838e+00 -2.281644838e+00 3.30 -2.230528174e+00 -2.230528174e+00 3.32 -2.179179113e+00 -2.179179113e+00 3.34 -2.127893630e+00 -2.127893630e+00 3.36 -2.076949752e+00 -2.076949752e+00 3.38 -2.026595581e+00 -2.026595581e+00 3.40 -1.977039614e+00 -1.977039614e+00 3.42 -1.928457405e+00 -1.928457405e+00 3.44 -1.880989788e+00 -1.880989788e+00 3.46 -1.834671407e+00 -1.834671407e+00 3.48 -1.789495402e+00 -1.789495402e+00 3.50 -1.745423277e+00 -1.745423277e+00 3.52 -1.702391295e+00 -1.702391295e+00 3.54 -1.660317294e+00 -1.660317294e+00 3.56 -1.619107397e+00 -1.619107397e+00 3.58 -1.578649318e+00 -1.578649318e+00 3.60 -1.538755195e+00 -1.538755195e+00 3.62 -1.499219546e+00 -1.499219546e+00 3.64 -1.459854894e+00 -1.459854894e+00 3.66 -1.420494978e+00 -1.420494978e+00 3.68 -1.380998270e+00 -1.380998270e+00 3.70 -1.341251633e+00 -1.341251633e+00 3.72 -1.301174004e+00 -1.301174004e+00 3.74 -1.260719799e+00 -1.260719799e+00 3.76 -1.219881652e+00 -1.219881652e+00 3.78 -1.178691974e+00 -1.178691974e+00 3.80 -1.137222862e+00 -1.137222862e+00 3.82 -1.095583924e+00 -1.095583924e+00 3.84 -1.053917808e+00 -1.053917808e+00 3.86 -1.012393504e+00 -1.012393504e+00 3.88 -9.711977850e-01 -9.711977850e-01 3.90 -9.305254734e-01 -9.305254734e-01 3.92 -8.905692633e-01 -8.905692633e-01 3.94 -8.515111230e-01 -8.515111230e-01 3.96 -8.135133738e-01 -8.135133738e-01 3.98 -7.767138792e-01 -7.767138792e-01 4.00 -7.412226512e-01 -7.412226512e-01 4.02 -7.071210309e-01 -7.071210309e-01 4.04 -6.744628670e-01 -6.744628670e-01 4.06 -6.432771379e-01 -6.432771379e-01 4.08 -6.135714028e-01 -6.135714028e-01 4.10 -5.853348619e-01 -5.853348619e-01 4.12 -5.585445494e-01 -5.585445494e-01 4.14 -5.331640781e-01 -5.331640781e-01 4.16 -5.091490547e-01 -5.091490547e-01 4.18 -4.864480991e-01 -4.864480991e-01 4.20 -4.650042215e-01 -4.650042215e-01 4.22 -4.447559212e-01 -4.447559212e-01 4.24 -4.256381656e-01 -4.256381656e-01 4.26 -4.075833606e-01 -4.075833606e-01 4.28 -3.905223594e-01 -3.905223594e-01 4.30 -3.743855041e-01 -3.743855041e-01 4.32 -3.591036528e-01 -3.591036528e-01 4.34 -3.446091347e-01 -3.446091347e-01 4.36 -3.308365783e-01 -3.308365783e-01 4.38 -3.177235787e-01 -3.177235787e-01 4.40 -3.052111898e-01 -3.052111898e-01 4.42 -2.932442531e-01 -2.932442531e-01 4.44 -2.817715859e-01 -2.817715859e-01 4.46 -2.707460646e-01 -2.707460646e-01 4.48 -2.601246403e-01 -2.601246403e-01 4.50 -2.498683234e-01 -2.498683234e-01 4.52 -2.399421655e-01 -2.399421655e-01 4.54 -2.303152641e-01 -2.303152641e-01 4.56 -2.209607998e-01 -2.209607998e-01 4.58 -2.118561090e-01 -2.118561090e-01 4.60 -2.029827830e-01 -2.029827830e-01 4.62 -1.943267709e-01 -1.943267709e-01 4.64 -1.858784561e-01 -1.858784561e-01 4.66 -1.776326655e-01 -1.776326655e-01 4.68 -1.695885700e-01 -1.695885700e-01 4.70 -1.617494328e-01 -1.617494328e-01 4.72 -1.541221764e-01 -1.541221764e-01 4.74 -1.467167531e-01 -1.467167531e-01 4.76 -1.395453288e-01 -1.395453288e-01 4.78 -1.326213170e-01 -1.326213170e-01 4.80 -1.259579244e-01 -1.259579244e-01 4.82 -1.195687593e-01 -1.195687593e-01 4.84 -1.134642266e-01 -1.134642266e-01 4.86 -1.076525474e-01 -1.076525474e-01 4.88 -1.021386796e-01 -1.021386796e-01 4.90 -9.692398730e-02 -9.692398730e-02 4.92 -9.200618112e-02 -9.200618112e-02 4.94 -8.737948304e-02 -8.737948304e-02 4.96 -8.303499452e-02 -8.303499452e-02 4.98 -7.896121369e-02 -7.896121369e-02 5.00 -7.514461436e-02 -7.514461436e-02 5.02 -7.157024239e-02 -7.157024239e-02 5.04 -6.822228381e-02 -6.822228381e-02 5.06 -6.508457267e-02 -6.508457267e-02 5.08 -6.214053868e-02 -6.214053868e-02 5.10 -5.937423891e-02 -5.937423891e-02 5.12 -5.677107372e-02 -5.677107372e-02 5.14 -5.431715863e-02 -5.431715863e-02 5.16 -5.199948420e-02 -5.199948420e-02 5.18 -4.980601243e-02 -4.980601243e-02 5.20 -4.772572206e-02 -4.772572206e-02 5.22 -4.574861747e-02 -4.574861747e-02 5.24 -4.386571259e-02 -4.386571259e-02 5.26 -4.206899901e-02 -4.206899901e-02 5.28 -4.035140473e-02 -4.035140473e-02 5.30 -3.870674769e-02 -3.870674769e-02 5.32 -3.712968613e-02 -3.712968613e-02 5.34 -3.561566638e-02 -3.561566638e-02 5.36 -3.416086666e-02 -3.416086666e-02 5.38 -3.276213689e-02 -3.276213689e-02 5.40 -3.141693029e-02 -3.141693029e-02 5.42 -3.012322660e-02 -3.012322660e-02 5.44 -2.887944659e-02 -2.887944659e-02 5.46 -2.768435875e-02 -2.768435875e-02 5.48 -2.653698077e-02 -2.653698077e-02 5.50 -2.543647994e-02 -2.543647994e-02 5.52 -2.438207803e-02 -2.438207803e-02 5.54 -2.337296607e-02 -2.337296607e-02 5.56 -2.240823434e-02 -2.240823434e-02 5.58 -2.148682127e-02 -2.148682127e-02 5.60 -2.060748317e-02 -2.060748317e-02 5.62 -1.976878431e-02 -1.976878431e-02 5.64 -1.896910533e-02 -1.896910533e-02 5.66 -1.820666594e-02 -1.820666594e-02 5.68 -1.747955769e-02 -1.747955769e-02 5.70 -1.678578196e-02 -1.678578196e-02 5.72 -1.612328915e-02 -1.612328915e-02 5.74 -1.549001541e-02 -1.549001541e-02 5.76 -1.488389151e-02 -1.488389151e-02 5.78 -1.430290861e-02 -1.430290861e-02 5.80 -1.374514091e-02 -1.374514091e-02 5.82 -1.320874339e-02 -1.320874339e-02 5.84 -1.269196177e-02 -1.269196177e-02 5.86 -1.219313837e-02 -1.219313837e-02 5.88 -1.171071472e-02 -1.171071472e-02 5.90 -1.124323211e-02 -1.124323211e-02 5.92 -1.078933104e-02 -1.078933104e-02 5.94 -1.034775040e-02 -1.034775040e-02 5.96 -9.917326982e-03 -9.917326982e-03 5.98 -9.496996065e-03 -9.496996065e-03 6.00 -9.085793288e-03 -9.085793288e-03