# 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 = AlAuPd2 # 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 2.637075051e+02 2.637075051e+02 1.30 2.449158054e+02 2.449158054e+02 1.32 2.274649017e+02 2.274649017e+02 1.34 2.112493727e+02 2.112493727e+02 1.36 1.961724704e+02 1.961724704e+02 1.38 1.821448297e+02 1.821448297e+02 1.40 1.690847260e+02 1.690847260e+02 1.42 1.569184697e+02 1.569184697e+02 1.44 1.455803031e+02 1.455803031e+02 1.46 1.350117829e+02 1.350117829e+02 1.48 1.251602400e+02 1.251602400e+02 1.50 1.159764514e+02 1.159764514e+02 1.52 1.074128309e+02 1.074128309e+02 1.54 9.942314048e+01 9.942314048e+01 1.56 9.196331177e+01 9.196331177e+01 1.58 8.499239191e+01 8.499239191e+01 1.60 7.847307556e+01 7.847307556e+01 1.62 7.237180905e+01 7.237180905e+01 1.64 6.665864691e+01 6.665864691e+01 1.66 6.130696937e+01 6.130696937e+01 1.68 5.629812563e+01 5.629812563e+01 1.70 5.163911549e+01 5.163911549e+01 1.72 4.732193183e+01 4.732193183e+01 1.74 4.332274079e+01 4.332274079e+01 1.76 3.961737311e+01 3.961737311e+01 1.78 3.618306726e+01 3.618306726e+01 1.80 3.299893206e+01 3.299893206e+01 1.82 3.004603397e+01 3.004603397e+01 1.84 2.730733138e+01 2.730733138e+01 1.86 2.476750791e+01 2.476750791e+01 1.88 2.241275572e+01 2.241275572e+01 1.90 2.023055679e+01 2.023055679e+01 1.92 1.820948728e+01 1.820948728e+01 1.94 1.633903522e+01 1.633903522e+01 1.96 1.460941432e+01 1.460941432e+01 1.98 1.301138191e+01 1.301138191e+01 2.00 1.153609488e+01 1.153609488e+01 2.02 1.017503446e+01 1.017503446e+01 2.04 8.920005241e+00 8.920005241e+00 2.06 7.763184371e+00 7.763184371e+00 2.08 6.697184651e+00 6.697184651e+00 2.10 5.715102671e+00 5.715102671e+00 2.12 4.810541051e+00 4.810541051e+00 2.14 3.977607291e+00 3.977607291e+00 2.16 3.210896791e+00 3.210896791e+00 2.18 2.505467455e+00 2.505467455e+00 2.20 1.856811277e+00 1.856811277e+00 2.22 1.260825401e+00 1.260825401e+00 2.24 7.137826113e-01 7.137826113e-01 2.26 2.123001164e-01 2.123001164e-01 2.28 -2.466940838e-01 -2.466940838e-01 2.30 -6.659970778e-01 -6.659970778e-01 2.32 -1.048168324e+00 -1.048168324e+00 2.34 -1.395566865e+00 -1.395566865e+00 2.36 -1.710386473e+00 -1.710386473e+00 2.38 -1.994686295e+00 -1.994686295e+00 2.40 -2.250415275e+00 -2.250415275e+00 2.42 -2.479430459e+00 -2.479430459e+00 2.44 -2.683511220e+00 -2.683511220e+00 2.46 -2.864371900e+00 -2.864371900e+00 2.48 -3.023673584e+00 -3.023673584e+00 2.50 -3.163033283e+00 -3.163033283e+00 2.52 -3.284028237e+00 -3.284028237e+00 2.54 -3.388195078e+00 -3.388195078e+00 2.56 -3.477025909e+00 -3.477025909e+00 2.58 -3.551962890e+00 -3.551962890e+00 2.60 -3.614389745e+00 -3.614389745e+00 2.62 -3.665616395e+00 -3.665616395e+00 2.64 -3.706855123e+00 -3.706855123e+00 2.66 -3.739543188e+00 -3.739543188e+00 2.68 -3.765071255e+00 -3.765071255e+00 2.70 -3.784369884e+00 -3.784369884e+00 2.72 -3.797878029e+00 -3.797878029e+00 2.74 -3.805544583e+00 -3.805544583e+00 2.76 -3.807352973e+00 -3.807352973e+00 2.78 -3.803322434e+00 -3.803322434e+00 2.80 -3.793512075e+00 -3.793512075e+00 2.82 -3.778032796e+00 -3.778032796e+00 2.84 -3.757103257e+00 -3.757103257e+00 2.86 -3.731009956e+00 -3.731009956e+00 2.88 -3.700080303e+00 -3.700080303e+00 2.90 -3.664675893e+00 -3.664675893e+00 2.92 -3.625184409e+00 -3.625184409e+00 2.94 -3.582011796e+00 -3.582011796e+00 2.96 -3.535572087e+00 -3.535572087e+00 2.98 -3.486277516e+00 -3.486277516e+00 3.00 -3.434531221e+00 -3.434531221e+00 3.02 -3.380723370e+00 -3.380723370e+00 3.04 -3.325229616e+00 -3.325229616e+00 3.06 -3.268409622e+00 -3.268409622e+00 3.08 -3.210603393e+00 -3.210603393e+00 3.10 -3.152124885e+00 -3.152124885e+00 3.12 -3.093253973e+00 -3.093253973e+00 3.14 -3.034229225e+00 -3.034229225e+00 3.16 -2.975243671e+00 -2.975243671e+00 3.18 -2.916444929e+00 -2.916444929e+00 3.20 -2.857939405e+00 -2.857939405e+00 3.22 -2.799799366e+00 -2.799799366e+00 3.24 -2.742071299e+00 -2.742071299e+00 3.26 -2.684784126e+00 -2.684784126e+00 3.28 -2.627956359e+00 -2.627956359e+00 3.30 -2.571601750e+00 -2.571601750e+00 3.32 -2.515733393e+00 -2.515733393e+00 3.34 -2.460366428e+00 -2.460366428e+00 3.36 -2.405519581e+00 -2.405519581e+00 3.38 -2.351215807e+00 -2.351215807e+00 3.40 -2.297482234e+00 -2.297482234e+00 3.42 -2.244349614e+00 -2.244349614e+00 3.44 -2.191851408e+00 -2.191851408e+00 3.46 -2.140022672e+00 -2.140022672e+00 3.48 -2.088898819e+00 -2.088898819e+00 3.50 -2.038514367e+00 -2.038514367e+00 3.52 -1.988901745e+00 -1.988901745e+00 3.54 -1.940090197e+00 -1.940090197e+00 3.56 -1.892104849e+00 -1.892104849e+00 3.58 -1.844965932e+00 -1.844965932e+00 3.60 -1.798688190e+00 -1.798688190e+00 3.62 -1.753280473e+00 -1.753280473e+00 3.64 -1.708745509e+00 -1.708745509e+00 3.66 -1.665079855e+00 -1.665079855e+00 3.68 -1.622274032e+00 -1.622274032e+00 3.70 -1.580312833e+00 -1.580312833e+00 3.72 -1.539175803e+00 -1.539175803e+00 3.74 -1.498837881e+00 -1.498837881e+00 3.76 -1.459270183e+00 -1.459270183e+00 3.78 -1.420440894e+00 -1.420440894e+00 3.80 -1.382316229e+00 -1.382316229e+00 3.82 -1.344861420e+00 -1.344861420e+00 3.84 -1.308041684e+00 -1.308041684e+00 3.86 -1.271823125e+00 -1.271823125e+00 3.88 -1.236173559e+00 -1.236173559e+00 3.90 -1.201063240e+00 -1.201063240e+00 3.92 -1.166465493e+00 -1.166465493e+00 3.94 -1.132357294e+00 -1.132357294e+00 3.96 -1.098719759e+00 -1.098719759e+00 3.98 -1.065538625e+00 -1.065538625e+00 4.00 -1.032804669e+00 -1.032804669e+00 4.02 -1.000514053e+00 -1.000514053e+00 4.04 -9.686685434e-01 -9.686685434e-01 4.06 -9.372755490e-01 -9.372755490e-01 4.08 -9.063479018e-01 -9.063479018e-01 4.10 -8.759033422e-01 -8.759033422e-01 4.12 -8.459637648e-01 -8.459637648e-01 4.14 -8.165541354e-01 -8.165541354e-01 4.16 -7.877013955e-01 -7.877013955e-01 4.18 -7.594333330e-01 -7.594333330e-01 4.20 -7.317776154e-01 -7.317776154e-01 4.22 -7.047610528e-01 -7.047610528e-01 4.24 -6.784090910e-01 -6.784090910e-01 4.26 -6.527454514e-01 -6.527454514e-01 4.28 -6.277917774e-01 -6.277917774e-01 4.30 -6.035671378e-01 -6.035671378e-01 4.32 -5.800872824e-01 -5.800872824e-01 4.34 -5.573636327e-01 -5.573636327e-01 4.36 -5.354020920e-01 -5.354020920e-01 4.38 -5.142018433e-01 -5.142018433e-01 4.40 -4.937543409e-01 -4.937543409e-01 4.42 -4.740426944e-01 -4.740426944e-01 4.44 -4.550415805e-01 -4.550415805e-01 4.46 -4.367177338e-01 -4.367177338e-01 4.48 -4.190309850e-01 -4.190309850e-01 4.50 -4.019357408e-01 -4.019357408e-01 4.52 -3.853827663e-01 -3.853827663e-01 4.54 -3.693211181e-01 -3.693211181e-01 4.56 -3.537000930e-01 -3.537000930e-01 4.58 -3.384710798e-01 -3.384710798e-01 4.60 -3.235892339e-01 -3.235892339e-01 4.62 -3.090149138e-01 -3.090149138e-01 4.64 -2.947148384e-01 -2.947148384e-01 4.66 -2.806629304e-01 -2.806629304e-01 4.68 -2.668408212e-01 -2.668408212e-01 4.70 -2.532379988e-01 -2.532379988e-01 4.72 -2.398515957e-01 -2.398515957e-01 4.74 -2.266858357e-01 -2.266858357e-01 4.76 -2.137511829e-01 -2.137511829e-01 4.78 -2.010632701e-01 -2.010632701e-01 4.80 -1.886416960e-01 -1.886416960e-01 4.82 -1.765088423e-01 -1.765088423e-01 4.84 -1.646887138e-01 -1.646887138e-01 4.86 -1.532060159e-01 -1.532060159e-01 4.88 -1.420854047e-01 -1.420854047e-01 4.90 -1.313509513e-01 -1.313509513e-01 4.92 -1.210257480e-01 -1.210257480e-01 4.94 -1.111315963e-01 -1.111315963e-01 4.96 -1.016886830e-01 -1.016886830e-01 4.98 -9.271520112e-02 -9.271520112e-02 5.00 -8.422687242e-02 -8.422687242e-02 5.02 -7.623637440e-02 -7.623637440e-02 5.04 -6.875249237e-02 -6.875249237e-02 5.06 -6.177977019e-02 -6.177977019e-02 5.08 -5.531867500e-02 -5.531867500e-02 5.10 -4.936454424e-02 -4.936454424e-02 5.12 -4.390759569e-02 -4.390759569e-02 5.14 -3.893319930e-02 -3.893319930e-02 5.16 -3.442235495e-02 -3.442235495e-02 5.18 -3.035234900e-02 -3.035234900e-02 5.20 -2.669754029e-02 -2.669754029e-02 5.22 -2.343019667e-02 -2.343019667e-02 5.24 -2.052133183e-02 -2.052133183e-02 5.26 -1.794146333e-02 -1.794146333e-02 5.28 -1.566129733e-02 -1.566129733e-02 5.30 -1.365229818e-02 -1.365229818e-02 5.32 -1.188696070e-02 -1.188696070e-02 5.34 -1.033955091e-02 -1.033955091e-02 5.36 -8.986187455e-03 -8.986187455e-03 5.38 -7.804814445e-03 -7.804814445e-03 5.40 -6.775272246e-03 -6.775272246e-03 5.42 -5.879297156e-03 -5.879297156e-03 5.44 -5.100468181e-03 -5.100468181e-03 5.46 -4.424116744e-03 -4.424116744e-03 5.48 -3.837212368e-03 -3.837212368e-03 5.50 -3.328234700e-03 -3.328234700e-03 5.52 -2.887039821e-03 -2.887039821e-03 5.54 -2.504726677e-03 -2.504726677e-03 5.56 -2.173507750e-03 -2.173507750e-03 5.58 -1.886586696e-03 -1.886586696e-03 5.60 -1.638044610e-03 -1.638044610e-03 5.62 -1.422735776e-03 -1.422735776e-03 5.64 -1.236193167e-03 -1.236193167e-03 5.66 -1.074543559e-03 -1.074543559e-03 5.68 -9.344318463e-04 -9.344318463e-04 5.70 -8.129539636e-04 -8.129539636e-04 5.72 -7.075977542e-04 -7.075977542e-04 5.74 -6.161910474e-04 -6.161910474e-04 5.76 -5.368562367e-04 -5.368562367e-04 5.78 -4.679706577e-04 -4.679706577e-04 5.80 -4.081321114e-04 -4.081321114e-04 5.82 -3.561289250e-04 -3.561289250e-04 5.84 -3.109139969e-04 -3.109139969e-04 5.86 -2.715823265e-04 -2.715823265e-04 5.88 -2.373515833e-04 -2.373515833e-04 5.90 -2.075453180e-04 -2.075453180e-04 5.92 -1.815784689e-04 -1.815784689e-04 5.94 -1.589448534e-04 -1.589448534e-04 5.96 -1.392063797e-04 -1.392063797e-04 5.98 -1.219837437e-04 -1.219837437e-04 6.00 -1.069484076e-04 -1.069484076e-04