# 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 = Cu2MoPd # 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 1.926151431e+02 1.926151431e+02 1.30 1.776494355e+02 1.776494355e+02 1.32 1.638203661e+02 1.638203661e+02 1.34 1.510471448e+02 1.510471448e+02 1.36 1.392511155e+02 1.392511155e+02 1.38 1.283532868e+02 1.283532868e+02 1.40 1.182757822e+02 1.182757822e+02 1.42 1.089455022e+02 1.089455022e+02 1.44 1.002972153e+02 1.002972153e+02 1.46 9.227447335e+01 9.227447335e+01 1.48 8.482853827e+01 8.482853827e+01 1.50 7.791646238e+01 7.791646238e+01 1.52 7.149931253e+01 7.149931253e+01 1.54 6.554095615e+01 6.554095615e+01 1.56 6.000743358e+01 6.000743358e+01 1.58 5.486684583e+01 5.486684583e+01 1.60 5.008967729e+01 5.008967729e+01 1.62 4.564936875e+01 4.564936875e+01 1.64 4.152452045e+01 4.152452045e+01 1.66 3.770080084e+01 3.770080084e+01 1.68 3.417371571e+01 3.417371571e+01 1.70 3.092542085e+01 3.092542085e+01 1.72 2.793774413e+01 2.793774413e+01 1.74 2.519252909e+01 2.519252909e+01 1.76 2.267136698e+01 2.267136698e+01 1.78 2.035580581e+01 2.035580581e+01 1.80 1.822779664e+01 1.822779664e+01 1.82 1.627023088e+01 1.627023088e+01 1.84 1.446743460e+01 1.446743460e+01 1.86 1.280549406e+01 1.280549406e+01 1.88 1.127234457e+01 1.127234457e+01 1.90 9.857647076e+00 9.857647076e+00 1.92 8.552541437e+00 8.552541437e+00 1.94 7.349367294e+00 7.349367294e+00 1.96 6.241402401e+00 6.241402401e+00 1.98 5.222626276e+00 5.222626276e+00 2.00 4.287504199e+00 4.287504199e+00 2.02 3.430797120e+00 3.430797120e+00 2.04 2.647413810e+00 2.647413810e+00 2.06 1.932320702e+00 1.932320702e+00 2.08 1.280515805e+00 1.280515805e+00 2.10 6.870619152e-01 6.870619152e-01 2.12 1.471634995e-01 1.471634995e-01 2.14 -3.437370750e-01 -3.437370750e-01 2.16 -7.898711622e-01 -7.898711622e-01 2.18 -1.195085037e+00 -1.195085037e+00 2.20 -1.562820392e+00 -1.562820392e+00 2.22 -1.896131389e+00 -1.896131389e+00 2.24 -2.197728549e+00 -2.197728549e+00 2.26 -2.470039309e+00 -2.470039309e+00 2.28 -2.715276409e+00 -2.715276409e+00 2.30 -2.935436116e+00 -2.935436116e+00 2.32 -3.132375831e+00 -3.132375831e+00 2.34 -3.308190235e+00 -3.308190235e+00 2.36 -3.464834391e+00 -3.464834391e+00 2.38 -3.604078269e+00 -3.604078269e+00 2.40 -3.727491236e+00 -3.727491236e+00 2.42 -3.836445238e+00 -3.836445238e+00 2.44 -3.932112355e+00 -3.932112355e+00 2.46 -4.015338277e+00 -4.015338277e+00 2.48 -4.086845855e+00 -4.086845855e+00 2.50 -4.147350027e+00 -4.147350027e+00 2.52 -4.197542408e+00 -4.197542408e+00 2.54 -4.238073006e+00 -4.238073006e+00 2.56 -4.269536228e+00 -4.269536228e+00 2.58 -4.292496414e+00 -4.292496414e+00 2.60 -4.307767833e+00 -4.307767833e+00 2.62 -4.315726328e+00 -4.315726328e+00 2.64 -4.316621320e+00 -4.316621320e+00 2.66 -4.310735915e+00 -4.310735915e+00 2.68 -4.298761551e+00 -4.298761551e+00 2.70 -4.280924877e+00 -4.280924877e+00 2.72 -4.257178470e+00 -4.257178470e+00 2.74 -4.227576172e+00 -4.227576172e+00 2.76 -4.192293775e+00 -4.192293775e+00 2.78 -4.151561543e+00 -4.151561543e+00 2.80 -4.105625834e+00 -4.105625834e+00 2.82 -4.054743269e+00 -4.054743269e+00 2.84 -3.999192627e+00 -3.999192627e+00 2.86 -3.939313339e+00 -3.939313339e+00 2.88 -3.875477602e+00 -3.875477602e+00 2.90 -3.808088607e+00 -3.808088607e+00 2.92 -3.737585547e+00 -3.737585547e+00 2.94 -3.664440235e+00 -3.664440235e+00 2.96 -3.589145294e+00 -3.589145294e+00 2.98 -3.512195999e+00 -3.512195999e+00 3.00 -3.434069148e+00 -3.434069148e+00 3.02 -3.355202538e+00 -3.355202538e+00 3.04 -3.275977975e+00 -3.275977975e+00 3.06 -3.196709551e+00 -3.196709551e+00 3.08 -3.117637754e+00 -3.117637754e+00 3.10 -3.038929081e+00 -3.038929081e+00 3.12 -2.960680297e+00 -2.960680297e+00 3.14 -2.882926287e+00 -2.882926287e+00 3.16 -2.805650429e+00 -2.805650429e+00 3.18 -2.728796584e+00 -2.728796584e+00 3.20 -2.652281972e+00 -2.652281972e+00 3.22 -2.576010413e+00 -2.576010413e+00 3.24 -2.499885506e+00 -2.499885506e+00 3.26 -2.423823419e+00 -2.423823419e+00 3.28 -2.347764833e+00 -2.347764833e+00 3.30 -2.271685524e+00 -2.271685524e+00 3.32 -2.195604926e+00 -2.195604926e+00 3.34 -2.119591953e+00 -2.119591953e+00 3.36 -2.043767408e+00 -2.043767408e+00 3.38 -1.968302500e+00 -1.968302500e+00 3.40 -1.893413298e+00 -1.893413298e+00 3.42 -1.819351366e+00 -1.819351366e+00 3.44 -1.746391283e+00 -1.746391283e+00 3.46 -1.674816106e+00 -1.674816106e+00 3.48 -1.604902134e+00 -1.604902134e+00 3.50 -1.536904389e+00 -1.536904389e+00 3.52 -1.471044112e+00 -1.471044112e+00 3.54 -1.407499287e+00 -1.407499287e+00 3.56 -1.346398785e+00 -1.346398785e+00 3.58 -1.287820292e+00 -1.287820292e+00 3.60 -1.231791728e+00 -1.231791728e+00 3.62 -1.178295636e+00 -1.178295636e+00 3.64 -1.127275752e+00 -1.127275752e+00 3.66 -1.078644986e+00 -1.078644986e+00 3.68 -1.032294023e+00 -1.032294023e+00 3.70 -9.880999142e-01 -9.880999142e-01 3.72 -9.459340692e-01 -9.459340692e-01 3.74 -9.056692503e-01 -9.056692503e-01 3.76 -8.671851999e-01 -8.671851999e-01 3.78 -8.303726559e-01 -8.303726559e-01 3.80 -7.951355961e-01 -7.951355961e-01 3.82 -7.613916808e-01 -7.613916808e-01 3.84 -7.290710364e-01 -7.290710364e-01 3.86 -6.981137056e-01 -6.981137056e-01 3.88 -6.684662698e-01 -6.684662698e-01 3.90 -6.400782515e-01 -6.400782515e-01 3.92 -6.128989058e-01 -6.128989058e-01 3.94 -5.868748912e-01 -5.868748912e-01 3.96 -5.619490962e-01 -5.619490962e-01 3.98 -5.380606540e-01 -5.380606540e-01 4.00 -5.151459532e-01 -5.151459532e-01 4.02 -4.931403032e-01 -4.931403032e-01 4.04 -4.719798554e-01 -4.719798554e-01 4.06 -4.516034027e-01 -4.516034027e-01 4.08 -4.319537686e-01 -4.319537686e-01 4.10 -4.129786107e-01 -4.129786107e-01 4.12 -3.946306016e-01 -3.946306016e-01 4.14 -3.768670581e-01 -3.768670581e-01 4.16 -3.596492030e-01 -3.596492030e-01 4.18 -3.429412913e-01 -3.429412913e-01 4.20 -3.267098508e-01 -3.267098508e-01 4.22 -3.109232555e-01 -3.109232555e-01 4.24 -2.955517740e-01 -2.955517740e-01 4.26 -2.805681341e-01 -2.805681341e-01 4.28 -2.659485422e-01 -2.659485422e-01 4.30 -2.516740008e-01 -2.516740008e-01 4.32 -2.377317020e-01 -2.377317020e-01 4.34 -2.241162438e-01 -2.241162438e-01 4.36 -2.108304205e-01 -2.108304205e-01 4.38 -1.978853840e-01 -1.978853840e-01 4.40 -1.853000434e-01 -1.853000434e-01 4.42 -1.730996767e-01 -1.730996767e-01 4.44 -1.613138411e-01 -1.613138411e-01 4.46 -1.499737789e-01 -1.499737789e-01 4.48 -1.391096062e-01 -1.391096062e-01 4.50 -1.287476110e-01 -1.287476110e-01 4.52 -1.189079791e-01 -1.189079791e-01 4.54 -1.096031979e-01 -1.096031979e-01 4.56 -1.008372831e-01 -1.008372831e-01 4.58 -9.260584701e-02 -9.260584701e-02 4.60 -8.489692425e-02 -8.489692425e-02 4.62 -7.769236213e-02 -7.769236213e-02 4.64 -7.096955635e-02 -7.096955635e-02 4.66 -6.470328229e-02 -6.470328229e-02 4.68 -5.886743399e-02 -5.886743399e-02 4.70 -5.343648859e-02 -5.343648859e-02 4.72 -4.838633585e-02 -4.838633585e-02 4.74 -4.369536307e-02 -4.369536307e-02 4.76 -3.934495509e-02 -3.934495509e-02 4.78 -3.531879611e-02 -3.531879611e-02 4.80 -3.160254445e-02 -3.160254445e-02 4.82 -2.818331422e-02 -2.818331422e-02 4.84 -2.504906442e-02 -2.504906442e-02 4.86 -2.218800574e-02 -2.218800574e-02 4.88 -1.958810114e-02 -1.958810114e-02 4.90 -1.723671209e-02 -1.723671209e-02 4.92 -1.512041139e-02 -1.512041139e-02 4.94 -1.322472333e-02 -1.322472333e-02 4.96 -1.153469200e-02 -1.153469200e-02 4.98 -1.003507037e-02 -1.003507037e-02 5.00 -8.710301483e-03 -8.710301483e-03 5.02 -7.544828865e-03 -7.544828865e-03 5.04 -6.523390358e-03 -6.523390358e-03 5.06 -5.631273473e-03 -5.631273473e-03 5.08 -4.854519719e-03 -4.854519719e-03 5.10 -4.180073605e-03 -4.180073605e-03 5.12 -3.595878067e-03 -3.595878067e-03 5.14 -3.090922065e-03 -3.090922065e-03 5.16 -2.655248228e-03 -2.655248228e-03 5.18 -2.279929117e-03 -2.279929117e-03 5.20 -1.957020434e-03 -1.957020434e-03 5.22 -1.679498553e-03 -1.679498553e-03 5.24 -1.441188625e-03 -1.441188625e-03 5.26 -1.236688232e-03 -1.236688232e-03 5.28 -1.061290351e-03 -1.061290351e-03 5.30 -9.109083649e-04 -9.109083649e-04 5.32 -7.820049797e-04 -7.820049797e-04 5.34 -6.715261727e-04 -6.715261727e-04 5.36 -5.768408041e-04 -5.768408041e-04 5.38 -4.956860950e-04 -4.956860950e-04 5.40 -4.261189114e-04 -4.261189114e-04 5.42 -3.664726031e-04 -3.664726031e-04 5.44 -3.153190305e-04 -3.153190305e-04 5.46 -2.714353477e-04 -2.714353477e-04 5.48 -2.337750859e-04 -2.337750859e-04 5.50 -2.014430812e-04 -2.014430812e-04 5.52 -1.736738068e-04 -1.736738068e-04 5.54 -1.498127004e-04 -1.498127004e-04 5.56 -1.293001076e-04 -1.293001076e-04 5.58 -1.116575027e-04 -1.116575027e-04 5.60 -9.647568007e-05 -9.647568007e-05 5.62 -8.340464796e-05 -8.340464796e-05 5.64 -7.214498784e-05 -7.214498784e-05 5.66 -6.244047176e-05 -6.244047176e-05 5.68 -5.407175872e-05 -5.407175872e-05 5.70 -4.685101449e-05 -4.685101449e-05 5.72 -4.061732097e-05 -4.061732097e-05 5.74 -3.523275975e-05 -3.523275975e-05 5.76 -3.057907115e-05 -3.057907115e-05 5.78 -2.655480403e-05 -2.655480403e-05 5.80 -2.307288414e-05 -2.307288414e-05 5.82 -2.005853910e-05 -2.005853910e-05 5.84 -1.744752731e-05 -1.744752731e-05 5.86 -1.518462589e-05 -1.518462589e-05 5.88 -1.322233932e-05 -1.322233932e-05 5.90 -1.151979619e-05 -1.151979619e-05 5.92 -1.004180626e-05 -1.004180626e-05 5.94 -8.758054261e-06 -8.758054261e-06 5.96 -7.642410238e-06 -7.642410238e-06 5.98 -6.672339351e-06 -6.672339351e-06 6.00 -5.828396554e-06 -5.828396554e-06