# 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 = Pb2TiW # 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 4.788524301e+02 4.788524301e+02 1.30 4.470377905e+02 4.470377905e+02 1.32 4.174475297e+02 4.174475297e+02 1.34 3.899084509e+02 3.899084509e+02 1.36 3.642651661e+02 3.642651661e+02 1.38 3.403774539e+02 3.403774539e+02 1.40 3.181181192e+02 3.181181192e+02 1.42 2.973705146e+02 2.973705146e+02 1.44 2.780258607e+02 2.780258607e+02 1.46 2.599813341e+02 2.599813341e+02 1.48 2.431396113e+02 2.431396113e+02 1.50 2.274095905e+02 2.274095905e+02 1.52 2.127073384e+02 2.127073384e+02 1.54 1.989565777e+02 1.989565777e+02 1.56 1.860883607e+02 1.860883607e+02 1.58 1.740401560e+02 1.740401560e+02 1.60 1.627547251e+02 1.627547251e+02 1.62 1.521792482e+02 1.521792482e+02 1.64 1.422647455e+02 1.422647455e+02 1.66 1.329657827e+02 1.329657827e+02 1.68 1.242403397e+02 1.242403397e+02 1.70 1.160497836e+02 1.160497836e+02 1.72 1.083588766e+02 1.083588766e+02 1.74 1.011357186e+02 1.011357186e+02 1.76 9.435161607e+01 9.435161607e+01 1.78 8.798086847e+01 8.798086847e+01 1.80 8.200040466e+01 8.200040466e+01 1.82 7.638964549e+01 7.638964549e+01 1.84 7.112925415e+01 7.112925415e+01 1.86 6.620043996e+01 6.620043996e+01 1.88 6.158659981e+01 6.158659981e+01 1.90 5.727979934e+01 5.727979934e+01 1.92 5.326150602e+01 5.326150602e+01 1.94 4.951199070e+01 4.951199070e+01 1.96 4.601238732e+01 4.601238732e+01 1.98 4.274486101e+01 4.274486101e+01 2.00 3.969267518e+01 3.969267518e+01 2.02 3.684020272e+01 3.684020272e+01 2.04 3.417290619e+01 3.417290619e+01 2.06 3.167730682e+01 3.167730682e+01 2.08 2.934095774e+01 2.934095774e+01 2.10 2.715240977e+01 2.715240977e+01 2.12 2.510118643e+01 2.510118643e+01 2.14 2.317773635e+01 2.317773635e+01 2.16 2.137337818e+01 2.137337818e+01 2.18 1.968023593e+01 1.968023593e+01 2.20 1.809115860e+01 1.809115860e+01 2.22 1.659963906e+01 1.659963906e+01 2.24 1.519973107e+01 1.519973107e+01 2.26 1.388597644e+01 1.388597644e+01 2.28 1.265334911e+01 1.265334911e+01 2.30 1.149720034e+01 1.149720034e+01 2.32 1.041320340e+01 1.041320340e+01 2.34 9.397305319e+00 9.397305319e+00 2.36 8.445664649e+00 8.445664649e+00 2.38 7.554611217e+00 7.554611217e+00 2.40 6.720622982e+00 6.720622982e+00 2.42 5.940322825e+00 5.940322825e+00 2.44 5.210493969e+00 5.210493969e+00 2.46 4.528154882e+00 4.528154882e+00 2.48 3.890395492e+00 3.890395492e+00 2.50 3.294477482e+00 3.294477482e+00 2.52 2.737870885e+00 2.737870885e+00 2.54 2.218244702e+00 2.218244702e+00 2.56 1.733452195e+00 1.733452195e+00 2.58 1.281512966e+00 1.281512966e+00 2.60 8.605933230e-01 8.605933230e-01 2.62 4.690022191e-01 4.690022191e-01 2.64 1.052977412e-01 1.052977412e-01 2.66 -2.318189139e-01 -2.318189139e-01 2.68 -5.436198387e-01 -5.436198387e-01 2.70 -8.313541204e-01 -8.313541204e-01 2.72 -1.096249140e+00 -1.096249140e+00 2.74 -1.339536326e+00 -1.339536326e+00 2.76 -1.562422503e+00 -1.562422503e+00 2.78 -1.765991657e+00 -1.765991657e+00 2.80 -1.951301144e+00 -1.951301144e+00 2.82 -2.119380304e+00 -2.119380304e+00 2.84 -2.271227509e+00 -2.271227509e+00 2.86 -2.407809016e+00 -2.407809016e+00 2.88 -2.530051212e+00 -2.530051212e+00 2.90 -2.638722489e+00 -2.638722489e+00 2.92 -2.734479576e+00 -2.734479576e+00 2.94 -2.817982885e+00 -2.817982885e+00 2.96 -2.889901339e+00 -2.889901339e+00 2.98 -2.950913812e+00 -2.950913812e+00 3.00 -3.001709671e+00 -3.001709671e+00 3.02 -3.042987346e+00 -3.042987346e+00 3.04 -3.075449554e+00 -3.075449554e+00 3.06 -3.099797170e+00 -3.099797170e+00 3.08 -3.116716628e+00 -3.116716628e+00 3.10 -3.126870576e+00 -3.126870576e+00 3.12 -3.130885846e+00 -3.130885846e+00 3.14 -3.129351868e+00 -3.129351868e+00 3.16 -3.122805387e+00 -3.122805387e+00 3.18 -3.111734218e+00 -3.111734218e+00 3.20 -3.096573280e+00 -3.096573280e+00 3.22 -3.077703265e+00 -3.077703265e+00 3.24 -3.055450231e+00 -3.055450231e+00 3.26 -3.030086733e+00 -3.030086733e+00 3.28 -3.001835271e+00 -3.001835271e+00 3.30 -2.970874434e+00 -2.970874434e+00 3.32 -2.937347599e+00 -2.937347599e+00 3.34 -2.901373500e+00 -2.901373500e+00 3.36 -2.863057669e+00 -2.863057669e+00 3.38 -2.822531545e+00 -2.822531545e+00 3.40 -2.779989936e+00 -2.779989936e+00 3.42 -2.735422027e+00 -2.735422027e+00 3.44 -2.688845019e+00 -2.688845019e+00 3.46 -2.640340613e+00 -2.640340613e+00 3.48 -2.590053688e+00 -2.590053688e+00 3.50 -2.538182429e+00 -2.538182429e+00 3.52 -2.484927681e+00 -2.484927681e+00 3.54 -2.430512469e+00 -2.430512469e+00 3.56 -2.375202435e+00 -2.375202435e+00 3.58 -2.319287476e+00 -2.319287476e+00 3.60 -2.263063424e+00 -2.263063424e+00 3.62 -2.206816014e+00 -2.206816014e+00 3.64 -2.150808534e+00 -2.150808534e+00 3.66 -2.095273792e+00 -2.095273792e+00 3.68 -2.040410283e+00 -2.040410283e+00 3.70 -1.986381784e+00 -1.986381784e+00 3.72 -1.933319296e+00 -1.933319296e+00 3.74 -1.881324257e+00 -1.881324257e+00 3.76 -1.830472146e+00 -1.830472146e+00 3.78 -1.780815949e+00 -1.780815949e+00 3.80 -1.732389270e+00 -1.732389270e+00 3.82 -1.685209093e+00 -1.685209093e+00 3.84 -1.639278305e+00 -1.639278305e+00 3.86 -1.594588085e+00 -1.594588085e+00 3.88 -1.551120224e+00 -1.551120224e+00 3.90 -1.508849354e+00 -1.508849354e+00 3.92 -1.467744271e+00 -1.467744271e+00 3.94 -1.427772933e+00 -1.427772933e+00 3.96 -1.388899044e+00 -1.388899044e+00 3.98 -1.351086753e+00 -1.351086753e+00 4.00 -1.314300627e+00 -1.314300627e+00 4.02 -1.278506242e+00 -1.278506242e+00 4.04 -1.243670531e+00 -1.243670531e+00 4.06 -1.209761935e+00 -1.209761935e+00 4.08 -1.176750422e+00 -1.176750422e+00 4.10 -1.144604808e+00 -1.144604808e+00 4.12 -1.113303507e+00 -1.113303507e+00 4.14 -1.082817280e+00 -1.082817280e+00 4.16 -1.053121101e+00 -1.053121101e+00 4.18 -1.024190853e+00 -1.024190853e+00 4.20 -9.960032325e-01 -9.960032325e-01 4.22 -9.685356871e-01 -9.685356871e-01 4.24 -9.417663831e-01 -9.417663831e-01 4.26 -9.156742083e-01 -9.156742083e-01 4.28 -8.902387983e-01 -8.902387983e-01 4.30 -8.654405823e-01 -8.654405823e-01 4.32 -8.412608388e-01 -8.412608388e-01 4.34 -8.176817502e-01 -8.176817502e-01 4.36 -7.946864489e-01 -7.946864489e-01 4.38 -7.722590444e-01 -7.722590444e-01 4.40 -7.503846259e-01 -7.503846259e-01 4.42 -7.290492361e-01 -7.290492361e-01 4.44 -7.082398145e-01 -7.082398145e-01 4.46 -6.879441143e-01 -6.879441143e-01 4.48 -6.681505946e-01 -6.681505946e-01 4.50 -6.488482968e-01 -6.488482968e-01 4.52 -6.300267123e-01 -6.300267123e-01 4.54 -6.116756475e-01 -6.116756475e-01 4.56 -5.937850956e-01 -5.937850956e-01 4.58 -5.763451189e-01 -5.763451189e-01 4.60 -5.593457482e-01 -5.593457482e-01 4.62 -5.427769001e-01 -5.427769001e-01 4.64 -5.266283172e-01 -5.266283172e-01 4.66 -5.108895287e-01 -5.108895287e-01 4.68 -4.955498357e-01 -4.955498357e-01 4.70 -4.805983183e-01 -4.805983183e-01 4.72 -4.660238671e-01 -4.660238671e-01 4.74 -4.518152384e-01 -4.518152384e-01 4.76 -4.379611335e-01 -4.379611335e-01 4.78 -4.244503028e-01 -4.244503028e-01 4.80 -4.112701603e-01 -4.112701603e-01 4.82 -3.984132309e-01 -3.984132309e-01 4.84 -3.858674760e-01 -3.858674760e-01 4.86 -3.736233355e-01 -3.736233355e-01 4.88 -3.616721092e-01 -3.616721092e-01 4.90 -3.500061278e-01 -3.500061278e-01 4.92 -3.386188921e-01 -3.386188921e-01 4.94 -3.275051640e-01 -3.275051640e-01 4.96 -3.166609887e-01 -3.166609887e-01 4.98 -3.060836355e-01 -3.060836355e-01 5.00 -2.957714501e-01 -2.957714501e-01 5.02 -2.857236246e-01 -2.857236246e-01 5.04 -2.759399037e-01 -2.759399037e-01 5.06 -2.664202565e-01 -2.664202565e-01 5.08 -2.571645520e-01 -2.571645520e-01 5.10 -2.481722769e-01 -2.481722769e-01 5.12 -2.394423255e-01 -2.394423255e-01 5.14 -2.309728821e-01 -2.309728821e-01 5.16 -2.227613968e-01 -2.227613968e-01 5.18 -2.148046405e-01 -2.148046405e-01 5.20 -2.070988140e-01 -2.070988140e-01 5.22 -1.996396786e-01 -1.996396786e-01 5.24 -1.924226766e-01 -1.924226766e-01 5.26 -1.854430173e-01 -1.854430173e-01 5.28 -1.786957142e-01 -1.786957142e-01 5.30 -1.721755690e-01 -1.721755690e-01 5.32 -1.658771114e-01 -1.658771114e-01 5.34 -1.597945075e-01 -1.597945075e-01 5.36 -1.539214594e-01 -1.539214594e-01 5.38 -1.482511124e-01 -1.482511124e-01 5.40 -1.427759901e-01 -1.427759901e-01 5.42 -1.374879691e-01 -1.374879691e-01 5.44 -1.323782985e-01 -1.323782985e-01 5.46 -1.274376664e-01 -1.274376664e-01 5.48 -1.226563119e-01 -1.226563119e-01 5.50 -1.180241723e-01 -1.180241723e-01 5.52 -1.135310571e-01 -1.135310571e-01 5.54 -1.091668400e-01 -1.091668400e-01 5.56 -1.049216589e-01 -1.049216589e-01 5.58 -1.007861182e-01 -1.007861182e-01 5.60 -9.675148145e-02 -9.675148145e-02 5.62 -9.280985050e-02 -9.280985050e-02 5.64 -8.895432497e-02 -8.895432497e-02 5.66 -8.517913365e-02 -8.517913365e-02 5.68 -8.147973111e-02 -8.147973111e-02 5.70 -7.785285251e-02 -7.785285251e-02 5.72 -7.429652012e-02 -7.429652012e-02 5.74 -7.080999723e-02 -7.080999723e-02 5.76 -6.739368807e-02 -6.739368807e-02 5.78 -6.404884400e-02 -6.404884400e-02 5.80 -6.077713686e-02 -6.077713686e-02 5.82 -5.758152218e-02 -5.758152218e-02 5.84 -5.446533448e-02 -5.446533448e-02 5.86 -5.143196788e-02 -5.143196788e-02 5.88 -4.848467154e-02 -4.848467154e-02 5.90 -4.562638806e-02 -4.562638806e-02 5.92 -4.285964512e-02 -4.285964512e-02 5.94 -4.018650372e-02 -4.018650372e-02 5.96 -3.760855898e-02 -3.760855898e-02 5.98 -3.512698262e-02 -3.512698262e-02 6.00 -3.274259360e-02 -3.274259360e-02