# 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 = Fe2NiPb # 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 2.321805639e+02 2.321805639e+02 1.30 2.139461858e+02 2.139461858e+02 1.32 1.971407642e+02 1.971407642e+02 1.34 1.816450353e+02 1.816450353e+02 1.36 1.673509474e+02 1.673509474e+02 1.38 1.541603527e+02 1.541603527e+02 1.40 1.419839921e+02 1.419839921e+02 1.42 1.307407876e+02 1.307407876e+02 1.44 1.203571743e+02 1.203571743e+02 1.46 1.107662172e+02 1.107662172e+02 1.48 1.019066248e+02 1.019066248e+02 1.50 9.372191510e+01 9.372191510e+01 1.52 8.615985789e+01 8.615985789e+01 1.54 7.917205180e+01 7.917205180e+01 1.56 7.271344183e+01 7.271344183e+01 1.58 6.674185995e+01 6.674185995e+01 1.60 6.121783752e+01 6.121783752e+01 1.62 5.610482090e+01 5.610482090e+01 1.64 5.136942541e+01 5.136942541e+01 1.66 4.698429380e+01 4.698429380e+01 1.68 4.293099082e+01 4.293099082e+01 1.70 3.918651869e+01 3.918651869e+01 1.72 3.572968774e+01 3.572968774e+01 1.74 3.254095528e+01 3.254095528e+01 1.76 2.960169232e+01 2.960169232e+01 1.78 2.689374317e+01 2.689374317e+01 1.80 2.439939518e+01 2.439939518e+01 1.82 2.210168954e+01 2.210168954e+01 1.84 1.998480081e+01 1.998480081e+01 1.86 1.803425725e+01 1.803425725e+01 1.88 1.623693959e+01 1.623693959e+01 1.90 1.458091790e+01 1.458091790e+01 1.92 1.305524081e+01 1.305524081e+01 1.94 1.164975332e+01 1.164975332e+01 1.96 1.035496144e+01 1.035496144e+01 1.98 9.161961495e+00 9.161961495e+00 2.00 8.062418370e+00 8.062418370e+00 2.02 7.048583973e+00 7.048583973e+00 2.04 6.113338888e+00 6.113338888e+00 2.06 5.250237741e+00 5.250237741e+00 2.08 4.453531939e+00 4.453531939e+00 2.10 3.718152565e+00 3.718152565e+00 2.12 3.039647763e+00 3.039647763e+00 2.14 2.414084869e+00 2.414084869e+00 2.16 1.837942931e+00 1.837942931e+00 2.18 1.308013448e+00 1.308013448e+00 2.20 8.213191044e-01 8.213191044e-01 2.22 3.750555908e-01 3.750555908e-01 2.24 -3.344885885e-02 -3.344885885e-02 2.26 -4.067599163e-01 -4.067599163e-01 2.28 -7.473568383e-01 -7.473568383e-01 2.30 -1.057637066e+00 -1.057637066e+00 2.32 -1.339920702e+00 -1.339920702e+00 2.34 -1.596430239e+00 -1.596430239e+00 2.36 -1.829267772e+00 -1.829267772e+00 2.38 -2.040380922e+00 -2.040380922e+00 2.40 -2.231534758e+00 -2.231534758e+00 2.42 -2.404299800e+00 -2.404299800e+00 2.44 -2.560058633e+00 -2.560058633e+00 2.46 -2.700028773e+00 -2.700028773e+00 2.48 -2.825296877e+00 -2.825296877e+00 2.50 -2.936848906e+00 -2.936848906e+00 2.52 -3.035595194e+00 -3.035595194e+00 2.54 -3.122388801e+00 -3.122388801e+00 2.56 -3.198037949e+00 -3.198037949e+00 2.58 -3.263232826e+00 -3.263232826e+00 2.60 -3.318511849e+00 -3.318511849e+00 2.62 -3.364411789e+00 -3.364411789e+00 2.64 -3.401476709e+00 -3.401476709e+00 2.66 -3.430249753e+00 -3.430249753e+00 2.68 -3.451273970e+00 -3.451273970e+00 2.70 -3.465091793e+00 -3.465091793e+00 2.72 -3.472215207e+00 -3.472215207e+00 2.74 -3.472918260e+00 -3.472918260e+00 2.76 -3.467403112e+00 -3.467403112e+00 2.78 -3.455923520e+00 -3.455923520e+00 2.80 -3.438774837e+00 -3.438774837e+00 2.82 -3.416281129e+00 -3.416281129e+00 2.84 -3.388787327e+00 -3.388787327e+00 2.86 -3.356651448e+00 -3.356651448e+00 2.88 -3.320237926e+00 -3.320237926e+00 2.90 -3.279910645e+00 -3.279910645e+00 2.92 -3.236039837e+00 -3.236039837e+00 2.94 -3.189000049e+00 -3.189000049e+00 2.96 -3.139048720e+00 -3.139048720e+00 2.98 -3.086419326e+00 -3.086419326e+00 3.00 -3.031327002e+00 -3.031327002e+00 3.02 -2.973966259e+00 -2.973966259e+00 3.04 -2.914510849e+00 -2.914510849e+00 3.06 -2.853108230e+00 -2.853108230e+00 3.08 -2.789871951e+00 -2.789871951e+00 3.10 -2.724915012e+00 -2.724915012e+00 3.12 -2.658358006e+00 -2.658358006e+00 3.14 -2.590340206e+00 -2.590340206e+00 3.16 -2.521022226e+00 -2.521022226e+00 3.18 -2.450596181e+00 -2.450596181e+00 3.20 -2.379289201e+00 -2.379289201e+00 3.22 -2.307364999e+00 -2.307364999e+00 3.24 -2.235122014e+00 -2.235122014e+00 3.26 -2.162887943e+00 -2.162887943e+00 3.28 -2.091010847e+00 -2.091010847e+00 3.30 -2.019847344e+00 -2.019847344e+00 3.32 -1.949748790e+00 -1.949748790e+00 3.34 -1.881046666e+00 -1.881046666e+00 3.36 -1.814038640e+00 -1.814038640e+00 3.38 -1.748976775e+00 -1.748976775e+00 3.40 -1.686058846e+00 -1.686058846e+00 3.42 -1.625425196e+00 -1.625425196e+00 3.44 -1.567156851e+00 -1.567156851e+00 3.46 -1.511280504e+00 -1.511280504e+00 3.48 -1.457774763e+00 -1.457774763e+00 3.50 -1.406578544e+00 -1.406578544e+00 3.52 -1.357600226e+00 -1.357600226e+00 3.54 -1.310726679e+00 -1.310726679e+00 3.56 -1.265831529e+00 -1.265831529e+00 3.58 -1.222782322e+00 -1.222782322e+00 3.60 -1.181446397e+00 -1.181446397e+00 3.62 -1.141695521e+00 -1.141695521e+00 3.64 -1.103409356e+00 -1.103409356e+00 3.66 -1.066477911e+00 -1.066477911e+00 3.68 -1.030803124e+00 -1.030803124e+00 3.70 -9.962997135e-01 -9.962997135e-01 3.72 -9.628954070e-01 -9.628954070e-01 3.74 -9.305306939e-01 -9.305306939e-01 3.76 -8.991581972e-01 -8.991581972e-01 3.78 -8.687417750e-01 -8.687417750e-01 3.80 -8.392554149e-01 -8.392554149e-01 3.82 -8.106819350e-01 -8.106819350e-01 3.84 -7.830114520e-01 -7.830114520e-01 3.86 -7.562395586e-01 -7.562395586e-01 3.88 -7.303651815e-01 -7.303651815e-01 3.90 -7.053881779e-01 -7.053881779e-01 3.92 -6.813064497e-01 -6.813064497e-01 3.94 -6.581152697e-01 -6.581152697e-01 3.96 -6.358028371e-01 -6.358028371e-01 3.98 -6.143509451e-01 -6.143509451e-01 4.00 -5.937341681e-01 -5.937341681e-01 4.02 -5.739203118e-01 -5.739203118e-01 4.04 -5.548714563e-01 -5.548714563e-01 4.06 -5.365453852e-01 -5.365453852e-01 4.08 -5.188969175e-01 -5.188969175e-01 4.10 -5.018778121e-01 -5.018778121e-01 4.12 -4.854455802e-01 -4.854455802e-01 4.14 -4.695541640e-01 -4.695541640e-01 4.16 -4.541605674e-01 -4.541605674e-01 4.18 -4.392240372e-01 -4.392240372e-01 4.20 -4.247065433e-01 -4.247065433e-01 4.22 -4.105731061e-01 -4.105731061e-01 4.24 -3.967920560e-01 -3.967920560e-01 4.26 -3.833352862e-01 -3.833352862e-01 4.28 -3.701785392e-01 -3.701785392e-01 4.30 -3.573017428e-01 -3.573017428e-01 4.32 -3.446893859e-01 -3.446893859e-01 4.34 -3.323309002e-01 -3.323309002e-01 4.36 -3.202209907e-01 -3.202209907e-01 4.38 -3.083598408e-01 -3.083598408e-01 4.40 -2.967531065e-01 -2.967531065e-01 4.42 -2.854116198e-01 -2.854116198e-01 4.44 -2.743507428e-01 -2.743507428e-01 4.46 -2.635893524e-01 -2.635893524e-01 4.48 -2.531484912e-01 -2.531484912e-01 4.50 -2.430497756e-01 -2.430497756e-01 4.52 -2.333137055e-01 -2.333137055e-01 4.54 -2.239580465e-01 -2.239580465e-01 4.56 -2.149964558e-01 -2.149964558e-01 4.58 -2.064374895e-01 -2.064374895e-01 4.60 -1.982840721e-01 -1.982840721e-01 4.62 -1.905334404e-01 -1.905334404e-01 4.64 -1.831775127e-01 -1.831775127e-01 4.66 -1.762035850e-01 -1.762035850e-01 4.68 -1.695952359e-01 -1.695952359e-01 4.70 -1.633333186e-01 -1.633333186e-01 4.72 -1.573969385e-01 -1.573969385e-01 4.74 -1.517643388e-01 -1.517643388e-01 4.76 -1.464136493e-01 -1.464136493e-01 4.78 -1.413234766e-01 -1.413234766e-01 4.80 -1.364725417e-01 -1.364725417e-01 4.82 -1.318432811e-01 -1.318432811e-01 4.84 -1.274168405e-01 -1.274168405e-01 4.86 -1.231767606e-01 -1.231767606e-01 4.88 -1.191080337e-01 -1.191080337e-01 4.90 -1.151970596e-01 -1.151970596e-01 4.92 -1.114315707e-01 -1.114315707e-01 4.94 -1.078005401e-01 -1.078005401e-01 4.96 -1.042940847e-01 -1.042940847e-01 4.98 -1.009033702e-01 -1.009033702e-01 5.00 -9.762052231e-02 -9.762052231e-02 5.02 -9.443854970e-02 -9.443854970e-02 5.04 -9.135127696e-02 -9.135127696e-02 5.06 -8.835328962e-02 -8.835328962e-02 5.08 -8.543988865e-02 -8.543988865e-02 5.10 -8.260705307e-02 -8.260705307e-02 5.12 -7.985140722e-02 -7.985140722e-02 5.14 -7.717018916e-02 -7.717018916e-02 5.16 -7.456121651e-02 -7.456121651e-02 5.18 -7.202284583e-02 -7.202284583e-02 5.20 -6.955392215e-02 -6.955392215e-02 5.22 -6.715371643e-02 -6.715371643e-02 5.24 -6.482184962e-02 -6.482184962e-02 5.26 -6.255818996e-02 -6.255818996e-02 5.28 -6.036270025e-02 -6.036270025e-02 5.30 -5.823550481e-02 -5.823550481e-02 5.32 -5.617669593e-02 -5.617669593e-02 5.34 -5.418621334e-02 -5.418621334e-02 5.36 -5.226375746e-02 -5.226375746e-02 5.38 -5.040872078e-02 -5.040872078e-02 5.40 -4.862014105e-02 -4.862014105e-02 5.42 -4.689667814e-02 -4.689667814e-02 5.44 -4.523661395e-02 -4.523661395e-02 5.46 -4.363787295e-02 -4.363787295e-02 5.48 -4.209805943e-02 -4.209805943e-02 5.50 -4.061450681e-02 -4.061450681e-02 5.52 -3.918433397e-02 -3.918433397e-02 5.54 -3.780450418e-02 -3.780450418e-02 5.56 -3.647188286e-02 -3.647188286e-02 5.58 -3.518329127e-02 -3.518329127e-02 5.60 -3.393555455e-02 -3.393555455e-02 5.62 -3.272554322e-02 -3.272554322e-02 5.64 -3.155020750e-02 -3.155020750e-02 5.66 -3.040660632e-02 -3.040660632e-02 5.68 -2.929193096e-02 -2.929193096e-02 5.70 -2.820352482e-02 -2.820352482e-02 5.72 -2.713890037e-02 -2.713890037e-02 5.74 -2.609575469e-02 -2.609575469e-02 5.76 -2.507198431e-02 -2.507198431e-02 5.78 -2.406570038e-02 -2.406570038e-02 5.80 -2.307524445e-02 -2.307524445e-02 5.82 -2.209920513e-02 -2.209920513e-02 5.84 -2.113643545e-02 -2.113643545e-02 5.86 -2.018607025e-02 -2.018607025e-02 5.88 -1.924754296e-02 -1.924754296e-02 5.90 -1.832060012e-02 -1.832060012e-02 5.92 -1.740531259e-02 -1.740531259e-02 5.94 -1.650205617e-02 -1.650205617e-02 5.96 -1.561141997e-02 -1.561141997e-02 5.98 -1.473446398e-02 -1.473446398e-02 6.00 -1.387257330e-02 -1.387257330e-02