# 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 = Fe2TaW # 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 3.013704846e+02 3.013704846e+02 1.30 2.763507720e+02 2.763507720e+02 1.32 2.533576752e+02 2.533576752e+02 1.34 2.322124673e+02 2.322124673e+02 1.36 2.127553150e+02 2.127553150e+02 1.38 1.948431717e+02 1.948431717e+02 1.40 1.783480955e+02 1.783480955e+02 1.42 1.631559037e+02 1.631559037e+02 1.44 1.491645674e+02 1.491645674e+02 1.46 1.362820680e+02 1.362820680e+02 1.48 1.244240544e+02 1.244240544e+02 1.50 1.135119576e+02 1.135119576e+02 1.52 1.034720101e+02 1.034720101e+02 1.54 9.423513826e+01 9.423513826e+01 1.56 8.573729919e+01 8.573729919e+01 1.58 7.791974819e+01 7.791974819e+01 1.60 7.072893571e+01 7.072893571e+01 1.62 6.411603830e+01 6.411603830e+01 1.64 5.803631861e+01 5.803631861e+01 1.66 5.244851280e+01 5.244851280e+01 1.68 4.731433879e+01 4.731433879e+01 1.70 4.259812809e+01 4.259812809e+01 1.72 3.826655889e+01 3.826655889e+01 1.74 3.428848435e+01 3.428848435e+01 1.76 3.063485482e+01 3.063485482e+01 1.78 2.727871646e+01 2.727871646e+01 1.80 2.419571107e+01 2.419571107e+01 1.82 2.136833913e+01 2.136833913e+01 1.84 1.877698223e+01 1.877698223e+01 1.86 1.640264361e+01 1.640264361e+01 1.88 1.422827288e+01 1.422827288e+01 1.90 1.223860016e+01 1.223860016e+01 1.92 1.041980761e+01 1.041980761e+01 1.94 8.758980205e+00 8.758980205e+00 1.96 7.243804402e+00 7.243804402e+00 1.98 5.862419366e+00 5.862419366e+00 2.00 4.603421965e+00 4.603421965e+00 2.02 3.455986715e+00 3.455986715e+00 2.04 2.410033303e+00 2.410033303e+00 2.06 1.456367632e+00 1.456367632e+00 2.08 5.867442584e-01 5.867442584e-01 2.10 -2.061601804e-01 -2.061601804e-01 2.12 -9.288348561e-01 -9.288348561e-01 2.14 -1.587042001e+00 -1.587042001e+00 2.16 -2.185912829e+00 -2.185912829e+00 2.18 -2.730023847e+00 -2.730023847e+00 2.20 -3.223462153e+00 -3.223462153e+00 2.22 -3.669892294e+00 -3.669892294e+00 2.24 -4.072631129e+00 -4.072631129e+00 2.26 -4.434728272e+00 -4.434728272e+00 2.28 -4.759043442e+00 -4.759043442e+00 2.30 -5.048310315e+00 -5.048310315e+00 2.32 -5.305178364e+00 -5.305178364e+00 2.34 -5.532228369e+00 -5.532228369e+00 2.36 -5.731962588e+00 -5.731962588e+00 2.38 -5.906711724e+00 -5.906711724e+00 2.40 -6.058716895e+00 -6.058716895e+00 2.42 -6.190151031e+00 -6.190151031e+00 2.44 -6.302830301e+00 -6.302830301e+00 2.46 -6.398573913e+00 -6.398573913e+00 2.48 -6.479091208e+00 -6.479091208e+00 2.50 -6.545847781e+00 -6.545847781e+00 2.52 -6.600098345e+00 -6.600098345e+00 2.54 -6.642755513e+00 -6.642755513e+00 2.56 -6.674384242e+00 -6.674384242e+00 2.58 -6.695210274e+00 -6.695210274e+00 2.60 -6.705432761e+00 -6.705432761e+00 2.62 -6.705321219e+00 -6.705321219e+00 2.64 -6.695183249e+00 -6.695183249e+00 2.66 -6.675341067e+00 -6.675341067e+00 2.68 -6.646115298e+00 -6.646115298e+00 2.70 -6.607814543e+00 -6.607814543e+00 2.72 -6.560729491e+00 -6.560729491e+00 2.74 -6.505130738e+00 -6.505130738e+00 2.76 -6.441269849e+00 -6.441269849e+00 2.78 -6.369383466e+00 -6.369383466e+00 2.80 -6.289700402e+00 -6.289700402e+00 2.82 -6.202451572e+00 -6.202451572e+00 2.84 -6.107882330e+00 -6.107882330e+00 2.86 -6.006266388e+00 -6.006266388e+00 2.88 -5.897920004e+00 -5.897920004e+00 2.90 -5.783214824e+00 -5.783214824e+00 2.92 -5.662594102e+00 -5.662594102e+00 2.94 -5.536558118e+00 -5.536558118e+00 2.96 -5.405668098e+00 -5.405668098e+00 2.98 -5.270541972e+00 -5.270541972e+00 3.00 -5.131834292e+00 -5.131834292e+00 3.02 -4.990210777e+00 -4.990210777e+00 3.04 -4.846320863e+00 -4.846320863e+00 3.06 -4.700772456e+00 -4.700772456e+00 3.08 -4.554046403e+00 -4.554046403e+00 3.10 -4.406361067e+00 -4.406361067e+00 3.12 -4.257872792e+00 -4.257872792e+00 3.14 -4.108724411e+00 -4.108724411e+00 3.16 -3.959056474e+00 -3.959056474e+00 3.18 -3.809025926e+00 -3.809025926e+00 3.20 -3.658827638e+00 -3.658827638e+00 3.22 -3.508714091e+00 -3.508714091e+00 3.24 -3.359009093e+00 -3.359009093e+00 3.26 -3.210112510e+00 -3.210112510e+00 3.28 -3.062494527e+00 -3.062494527e+00 3.30 -2.916679746e+00 -2.916679746e+00 3.32 -2.773223117e+00 -2.773223117e+00 3.34 -2.632681087e+00 -2.632681087e+00 3.36 -2.495582003e+00 -2.495582003e+00 3.38 -2.362399718e+00 -2.362399718e+00 3.40 -2.233533399e+00 -2.233533399e+00 3.42 -2.109295152e+00 -2.109295152e+00 3.44 -1.989905479e+00 -1.989905479e+00 3.46 -1.875495360e+00 -1.875495360e+00 3.48 -1.766112993e+00 -1.766112993e+00 3.50 -1.661733127e+00 -1.661733127e+00 3.52 -1.562267342e+00 -1.562267342e+00 3.54 -1.467574247e+00 -1.467574247e+00 3.56 -1.377469277e+00 -1.377469277e+00 3.58 -1.291734201e+00 -1.291734201e+00 3.60 -1.210126697e+00 -1.210126697e+00 3.62 -1.132390290e+00 -1.132390290e+00 3.64 -1.058264735e+00 -1.058264735e+00 3.66 -9.874966234e-01 -9.874966234e-01 3.68 -9.198498011e-01 -9.198498011e-01 3.70 -8.551148828e-01 -8.551148828e-01 3.72 -7.931171390e-01 -7.931171390e-01 3.74 -7.337220847e-01 -7.337220847e-01 3.76 -6.768379669e-01 -6.768379669e-01 3.78 -6.224160511e-01 -6.224160511e-01 3.80 -5.704465153e-01 -5.704465153e-01 3.82 -5.209516671e-01 -5.209516671e-01 3.84 -4.739770194e-01 -4.739770194e-01 3.86 -4.295807489e-01 -4.295807489e-01 3.88 -3.878226435e-01 -3.878226435e-01 3.90 -3.487542334e-01 -3.487542334e-01 3.92 -3.124092679e-01 -3.124092679e-01 3.94 -2.787969300e-01 -2.787969300e-01 3.96 -2.478976737e-01 -2.478976737e-01 3.98 -2.196616962e-01 -2.196616962e-01 4.00 -1.940098346e-01 -1.940098346e-01 4.02 -1.708364510e-01 -1.708364510e-01 4.04 -1.500137392e-01 -1.500137392e-01 4.06 -1.313968579e-01 -1.313968579e-01 4.08 -1.148293374e-01 -1.148293374e-01 4.10 -1.001483096e-01 -1.001483096e-01 4.12 -8.718923136e-02 -8.718923136e-02 4.14 -7.578989905e-02 -7.578989905e-02 4.16 -6.579366294e-02 -6.579366294e-02 4.18 -5.705183541e-02 -5.705183541e-02 4.20 -4.942535033e-02 -4.942535033e-02 4.22 -4.278576754e-02 -4.278576754e-02 4.24 -3.701573344e-02 -3.701573344e-02 4.26 -3.200901261e-02 -3.200901261e-02 4.28 -2.767019714e-02 -2.767019714e-02 4.30 -2.391417943e-02 -2.391417943e-02 4.32 -2.066548937e-02 -2.066548937e-02 4.34 -1.785753860e-02 -1.785753860e-02 4.36 -1.543150847e-02 -1.543150847e-02 4.38 -1.333571519e-02 -1.333571519e-02 4.40 -1.152608813e-02 -1.152608813e-02 4.42 -9.964070489e-03 -9.964070489e-03 4.44 -8.616019817e-03 -8.616019817e-03 4.46 -7.452685848e-03 -7.452685848e-03 4.48 -6.448706213e-03 -6.448706213e-03 4.50 -5.582135419e-03 -5.582135419e-03 4.52 -4.834014613e-03 -4.834014613e-03 4.54 -4.187984694e-03 -4.187984694e-03 4.56 -3.629942333e-03 -3.629942333e-03 4.58 -3.147736690e-03 -3.147736690e-03 4.60 -2.730903712e-03 -2.730903712e-03 4.62 -2.370434470e-03 -2.370434470e-03 4.64 -2.058573935e-03 -2.058573935e-03 4.66 -1.788646679e-03 -1.788646679e-03 4.68 -1.554906269e-03 -1.554906269e-03 4.70 -1.352405326e-03 -1.352405326e-03 4.72 -1.176883585e-03 -1.176883585e-03 4.74 -1.024671563e-03 -1.024671563e-03 4.76 -8.926077022e-04 -8.926077022e-04 4.78 -7.779671695e-04 -7.779671695e-04 4.80 -6.784006105e-04 -6.784006105e-04 4.82 -5.918818824e-04 -5.918818824e-04 4.84 -5.166624931e-04 -5.166624931e-04 4.86 -4.512331468e-04 -4.512331468e-04 4.88 -3.942903815e-04 -3.942903815e-04 4.90 -3.447079816e-04 -3.447079816e-04 4.92 -3.015124174e-04 -3.015124174e-04 4.94 -2.638617418e-04 -2.638617418e-04 4.96 -2.310274508e-04 -2.310274508e-04 4.98 -2.023788879e-04 -2.023788879e-04 5.00 -1.773698303e-04 -1.773698303e-04 5.02 -1.555269480e-04 -1.555269480e-04 5.04 -1.364398696e-04 -1.364398696e-04 5.06 -1.197526285e-04 -1.197526285e-04 5.08 -1.051562941e-04 -1.051562941e-04 5.10 -9.238262064e-05 -9.238262064e-05 5.12 -8.119857162e-05 -8.119857162e-05 5.14 -7.140159584e-05 -7.140159584e-05 5.16 -6.281555073e-05 -6.281555073e-05 5.18 -5.528718223e-05 -5.528718223e-05 5.20 -4.868308379e-05 -4.868308379e-05 5.22 -4.288706807e-05 -4.288706807e-05 5.24 -3.779789422e-05 -3.779789422e-05 5.26 -3.332730161e-05 -3.332730161e-05 5.28 -2.939830781e-05 -2.939830781e-05 5.30 -2.594373473e-05 -2.594373473e-05 5.32 -2.290493149e-05 -2.290493149e-05 5.34 -2.023066740e-05 -2.023066740e-05 5.36 -1.787617177e-05 -1.787617177e-05 5.38 -1.580230074e-05 -1.580230074e-05 5.40 -1.397481394e-05 -1.397481394e-05 5.42 -1.236374626e-05 -1.236374626e-05 5.44 -1.094286178e-05 -1.094286178e-05 5.46 -9.689179125e-06 -9.689179125e-06 5.48 -8.582558522e-06 -8.582558522e-06 5.50 -7.605342404e-06 -7.605342404e-06 5.52 -6.742042525e-06 -6.742042525e-06 5.54 -5.979067363e-06 -5.979067363e-06 5.56 -5.304484564e-06 -5.304484564e-06 5.58 -4.707813783e-06 -4.707813783e-06 5.60 -4.179845981e-06 -4.179845981e-06 5.62 -3.712485705e-06 -3.712485705e-06 5.64 -3.298613376e-06 -3.298613376e-06 5.66 -2.931964987e-06 -2.931964987e-06 5.68 -2.607026954e-06 -2.607026954e-06 5.70 -2.318944187e-06 -2.318944187e-06 5.72 -2.063439667e-06 -2.063439667e-06 5.74 -1.836744066e-06 -1.836744066e-06 5.76 -1.635534125e-06 -1.635534125e-06 5.78 -1.456878677e-06 -1.456878677e-06 5.80 -1.298191344e-06 -1.298191344e-06 5.82 -1.157189076e-06 -1.157189076e-06 5.84 -1.031855773e-06 -1.031855773e-06 5.86 -9.204103774e-07 -9.204103774e-07 5.88 -8.212788561e-07 -8.212788561e-07 5.90 -7.330696027e-07 -7.330696027e-07 5.92 -6.545518220e-07 -6.545518220e-07 5.94 -5.846365336e-07 -5.846365336e-07 5.96 -5.223598687e-07 -5.223598687e-07 5.98 -4.668683771e-07 -4.668683771e-07 6.00 -4.174060979e-07 -4.174060979e-07