# 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 = PbTiW2 # 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 4.729919346e+02 4.729919346e+02 1.30 4.396615850e+02 4.396615850e+02 1.32 4.087729544e+02 4.087729544e+02 1.34 3.801206197e+02 3.801206197e+02 1.36 3.535209836e+02 3.535209836e+02 1.38 3.288107891e+02 3.288107891e+02 1.40 3.058447407e+02 3.058447407e+02 1.42 2.844920661e+02 2.844920661e+02 1.44 2.646330718e+02 2.646330718e+02 1.46 2.461568626e+02 2.461568626e+02 1.48 2.289604488e+02 2.289604488e+02 1.50 2.129487176e+02 2.129487176e+02 1.52 1.980346251e+02 1.980346251e+02 1.54 1.841390527e+02 1.841390527e+02 1.56 1.711901167e+02 1.711901167e+02 1.58 1.591221442e+02 1.591221442e+02 1.60 1.478745830e+02 1.478745830e+02 1.62 1.373910578e+02 1.373910578e+02 1.64 1.276186472e+02 1.276186472e+02 1.66 1.185074106e+02 1.185074106e+02 1.68 1.100100998e+02 1.100100998e+02 1.70 1.020820881e+02 1.020820881e+02 1.72 9.468156553e+01 9.468156553e+01 1.74 8.777000471e+01 8.777000471e+01 1.76 8.131267733e+01 8.131267733e+01 1.78 7.527889618e+01 7.527889618e+01 1.80 6.964179163e+01 6.964179163e+01 1.82 6.437767727e+01 6.437767727e+01 1.84 5.946516650e+01 5.946516650e+01 1.86 5.488427709e+01 5.488427709e+01 1.88 5.061582414e+01 5.061582414e+01 1.90 4.664187913e+01 4.664187913e+01 1.92 4.294398867e+01 4.294398867e+01 1.94 3.950397108e+01 3.950397108e+01 1.96 3.630855098e+01 3.630855098e+01 1.98 3.334231543e+01 3.334231543e+01 2.00 3.058831434e+01 3.058831434e+01 2.02 2.803067764e+01 2.803067764e+01 2.04 2.565453098e+01 2.565453098e+01 2.06 2.344589551e+01 2.344589551e+01 2.08 2.139162365e+01 2.139162365e+01 2.10 1.947939102e+01 1.947939102e+01 2.12 1.769773643e+01 1.769773643e+01 2.14 1.603612267e+01 1.603612267e+01 2.16 1.448499850e+01 1.448499850e+01 2.18 1.303583519e+01 1.303583519e+01 2.20 1.168111255e+01 1.168111255e+01 2.22 1.041425025e+01 1.041425025e+01 2.24 9.229485026e+00 9.229485026e+00 2.26 8.121715093e+00 8.121715093e+00 2.28 7.086336363e+00 7.086336363e+00 2.30 6.119106580e+00 6.119106580e+00 2.32 5.216042865e+00 5.216042865e+00 2.34 4.373378518e+00 4.373378518e+00 2.36 3.587542159e+00 3.587542159e+00 2.38 2.855156931e+00 2.855156931e+00 2.40 2.173038648e+00 2.173038648e+00 2.42 1.538191000e+00 1.538191000e+00 2.44 9.477984330e-01 9.477984330e-01 2.46 3.992220799e-01 3.992220799e-01 2.48 -1.100028827e-01 -1.100028827e-01 2.50 -5.821689566e-01 -5.821689566e-01 2.52 -1.019398942e+00 -1.019398942e+00 2.54 -1.423592856e+00 -1.423592856e+00 2.56 -1.796445272e+00 -1.796445272e+00 2.58 -2.139750851e+00 -2.139750851e+00 2.60 -2.455166421e+00 -2.455166421e+00 2.62 -2.744215213e+00 -2.744215213e+00 2.64 -3.008313898e+00 -3.008313898e+00 2.66 -3.248792395e+00 -3.248792395e+00 2.68 -3.466919430e+00 -3.466919430e+00 2.70 -3.663902632e+00 -3.663902632e+00 2.72 -3.840569166e+00 -3.840569166e+00 2.74 -3.997453968e+00 -3.997453968e+00 2.76 -4.135153781e+00 -4.135153781e+00 2.78 -4.254324532e+00 -4.254324532e+00 2.80 -4.355666258e+00 -4.355666258e+00 2.82 -4.439911851e+00 -4.439911851e+00 2.84 -4.507820817e+00 -4.507820817e+00 2.86 -4.560178925e+00 -4.560178925e+00 2.88 -4.597842815e+00 -4.597842815e+00 2.90 -4.621669991e+00 -4.621669991e+00 2.92 -4.632521791e+00 -4.632521791e+00 2.94 -4.631332643e+00 -4.631332643e+00 2.96 -4.619113871e+00 -4.619113871e+00 2.98 -4.596949883e+00 -4.596949883e+00 3.00 -4.565984081e+00 -4.565984081e+00 3.02 -4.527393261e+00 -4.527393261e+00 3.04 -4.482332901e+00 -4.482332901e+00 3.06 -4.431819758e+00 -4.431819758e+00 3.08 -4.376763583e+00 -4.376763583e+00 3.10 -4.317966091e+00 -4.317966091e+00 3.12 -4.256091582e+00 -4.256091582e+00 3.14 -4.191658863e+00 -4.191658863e+00 3.16 -4.125037367e+00 -4.125037367e+00 3.18 -4.056465357e+00 -4.056465357e+00 3.20 -3.986068616e+00 -3.986068616e+00 3.22 -3.913882725e+00 -3.913882725e+00 3.24 -3.839875298e+00 -3.839875298e+00 3.26 -3.763967259e+00 -3.763967259e+00 3.28 -3.686053274e+00 -3.686053274e+00 3.30 -3.606021708e+00 -3.606021708e+00 3.32 -3.523774341e+00 -3.523774341e+00 3.34 -3.439245593e+00 -3.439245593e+00 3.36 -3.352420636e+00 -3.352420636e+00 3.38 -3.263378464e+00 -3.263378464e+00 3.40 -3.172290331e+00 -3.172290331e+00 3.42 -3.079207025e+00 -3.079207025e+00 3.44 -2.984293655e+00 -2.984293655e+00 3.46 -2.887851743e+00 -2.887851743e+00 3.48 -2.790265791e+00 -2.790265791e+00 3.50 -2.691969332e+00 -2.691969332e+00 3.52 -2.593498036e+00 -2.593498036e+00 3.54 -2.495460538e+00 -2.495460538e+00 3.56 -2.398496861e+00 -2.398496861e+00 3.58 -2.303236762e+00 -2.303236762e+00 3.60 -2.210262285e+00 -2.210262285e+00 3.62 -2.120078094e+00 -2.120078094e+00 3.64 -2.033091776e+00 -2.033091776e+00 3.66 -1.949604702e+00 -1.949604702e+00 3.68 -1.869812473e+00 -1.869812473e+00 3.70 -1.793812909e+00 -1.793812909e+00 3.72 -1.721618964e+00 -1.721618964e+00 3.74 -1.653174081e+00 -1.653174081e+00 3.76 -1.588367888e+00 -1.588367888e+00 3.78 -1.527050829e+00 -1.527050829e+00 3.80 -1.469046935e+00 -1.469046935e+00 3.82 -1.414164450e+00 -1.414164450e+00 3.84 -1.362204353e+00 -1.362204353e+00 3.86 -1.312966985e+00 -1.312966985e+00 3.88 -1.266257051e+00 -1.266257051e+00 3.90 -1.221887254e+00 -1.221887254e+00 3.92 -1.179680326e+00 -1.179680326e+00 3.94 -1.139472515e+00 -1.139472515e+00 3.96 -1.101111331e+00 -1.101111331e+00 3.98 -1.064457881e+00 -1.064457881e+00 4.00 -1.029386033e+00 -1.029386033e+00 4.02 -9.957818302e-01 -9.957818302e-01 4.04 -9.635426892e-01 -9.635426892e-01 4.06 -9.325764763e-01 -9.325764763e-01 4.08 -9.028005345e-01 -9.028005345e-01 4.10 -8.741392161e-01 -8.741392161e-01 4.12 -8.465292086e-01 -8.465292086e-01 4.14 -8.199088086e-01 -8.199088086e-01 4.16 -7.942240413e-01 -7.942240413e-01 4.18 -7.694261048e-01 -7.694261048e-01 4.20 -7.454707255e-01 -7.454707255e-01 4.22 -7.223175884e-01 -7.223175884e-01 4.24 -6.999298367e-01 -6.999298367e-01 4.26 -6.782736344e-01 -6.782736344e-01 4.28 -6.573177860e-01 -6.573177860e-01 4.30 -6.370334052e-01 -6.370334052e-01 4.32 -6.173936286e-01 -6.173936286e-01 4.34 -5.983733669e-01 -5.983733669e-01 4.36 -5.799490892e-01 -5.799490892e-01 4.38 -5.620986360e-01 -5.620986360e-01 4.40 -5.448010568e-01 -5.448010568e-01 4.42 -5.280364684e-01 -5.280364684e-01 4.44 -5.117859311e-01 -5.117859311e-01 4.46 -4.960313408e-01 -4.960313408e-01 4.48 -4.807553338e-01 -4.807553338e-01 4.50 -4.659412025e-01 -4.659412025e-01 4.52 -4.515728222e-01 -4.515728222e-01 4.54 -4.376345850e-01 -4.376345850e-01 4.56 -4.241113425e-01 -4.241113425e-01 4.58 -4.109883557e-01 -4.109883557e-01 4.60 -3.982512515e-01 -3.982512515e-01 4.62 -3.858859869e-01 -3.858859869e-01 4.64 -3.738788211e-01 -3.738788211e-01 4.66 -3.622162962e-01 -3.622162962e-01 4.68 -3.508852286e-01 -3.508852286e-01 4.70 -3.398727118e-01 -3.398727118e-01 4.72 -3.291661341e-01 -3.291661341e-01 4.74 -3.187532111e-01 -3.187532111e-01 4.76 -3.086220386e-01 -3.086220386e-01 4.78 -2.987611640e-01 -2.987611640e-01 4.80 -2.891588575e-01 -2.891588575e-01 4.82 -2.798066454e-01 -2.798066454e-01 4.84 -2.706940903e-01 -2.706940903e-01 4.86 -2.618126630e-01 -2.618126630e-01 4.88 -2.531549045e-01 -2.531549045e-01 4.90 -2.447145552e-01 -2.447145552e-01 4.92 -2.364866528e-01 -2.364866528e-01 4.94 -2.284675819e-01 -2.284675819e-01 4.96 -2.206550534e-01 -2.206550534e-01 4.98 -2.130480020e-01 -2.130480020e-01 5.00 -2.056463941e-01 -2.056463941e-01 5.02 -1.984509542e-01 -1.984509542e-01 5.04 -1.914628239e-01 -1.914628239e-01 5.06 -1.846831877e-01 -1.846831877e-01 5.08 -1.781127420e-01 -1.781127420e-01 5.10 -1.717513000e-01 -1.717513000e-01 5.12 -1.655984269e-01 -1.655984269e-01 5.14 -1.596525914e-01 -1.596525914e-01 5.16 -1.539110710e-01 -1.539110710e-01 5.18 -1.483700149e-01 -1.483700149e-01 5.20 -1.430245846e-01 -1.430245846e-01 5.22 -1.378691366e-01 -1.378691366e-01 5.24 -1.328974193e-01 -1.328974193e-01 5.26 -1.281027379e-01 -1.281027379e-01 5.28 -1.234780381e-01 -1.234780381e-01 5.30 -1.190162216e-01 -1.190162216e-01 5.32 -1.147101059e-01 -1.147101059e-01 5.34 -1.105524289e-01 -1.105524289e-01 5.36 -1.065358555e-01 -1.065358555e-01 5.38 -1.026529716e-01 -1.026529716e-01 5.40 -9.889627900e-02 -9.889627900e-02 5.42 -9.525819897e-02 -9.525819897e-02 5.44 -9.173109233e-02 -9.173109233e-02 5.46 -8.830729935e-02 -8.830729935e-02 5.48 -8.497920039e-02 -8.497920039e-02 5.50 -8.173929631e-02 -8.173929631e-02 5.52 -7.858030634e-02 -7.858030634e-02 5.54 -7.549527986e-02 -7.549527986e-02 5.56 -7.247771845e-02 -7.247771845e-02 5.58 -6.952170396e-02 -6.952170396e-02 5.60 -6.662202750e-02 -6.662202750e-02 5.62 -6.377431393e-02 -6.377431393e-02 5.64 -6.097513492e-02 -6.097513492e-02 5.66 -5.822210306e-02 -5.822210306e-02 5.68 -5.551393803e-02 -5.551393803e-02 5.70 -5.285049630e-02 -5.285049630e-02 5.72 -5.023275592e-02 -5.023275592e-02 5.74 -4.766275041e-02 -4.766275041e-02 5.76 -4.514344899e-02 -4.514344899e-02 5.78 -4.267858530e-02 -4.267858530e-02 5.80 -4.027244226e-02 -4.027244226e-02 5.82 -3.792960603e-02 -3.792960603e-02 5.84 -3.565470709e-02 -3.565470709e-02 5.86 -3.345216844e-02 -3.345216844e-02 5.88 -3.132598061e-02 -3.132598061e-02 5.90 -2.927952203e-02 -2.927952203e-02 5.92 -2.731543595e-02 -2.731543595e-02 5.94 -2.543556922e-02 -2.543556922e-02 5.96 -2.364097098e-02 -2.364097098e-02 5.98 -2.193194288e-02 -2.193194288e-02 6.00 -2.030812782e-02 -2.030812782e-02