# 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 = AlPtTa2 # 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 3.404711268e+02 3.404711268e+02 1.30 3.177449231e+02 3.177449231e+02 1.32 2.966102131e+02 2.966102131e+02 1.34 2.769564166e+02 2.769564166e+02 1.36 2.586687215e+02 2.586687215e+02 1.38 2.416287447e+02 2.416287447e+02 1.40 2.257206092e+02 2.257206092e+02 1.42 2.108388114e+02 2.108388114e+02 1.44 1.968938279e+02 1.968938279e+02 1.46 1.838134481e+02 1.838134481e+02 1.48 1.715403371e+02 1.715403371e+02 1.50 1.600278101e+02 1.600278101e+02 1.52 1.492354301e+02 1.492354301e+02 1.54 1.391249900e+02 1.391249900e+02 1.56 1.296574173e+02 1.296574173e+02 1.58 1.207913621e+02 1.207913621e+02 1.60 1.124836563e+02 1.124836563e+02 1.62 1.046910149e+02 1.046910149e+02 1.64 9.737206005e+01 9.737206005e+01 1.66 9.048900312e+01 9.048900312e+01 1.68 8.400869961e+01 8.400869961e+01 1.70 7.790296283e+01 7.790296283e+01 1.72 7.214800484e+01 7.214800484e+01 1.74 6.672300163e+01 6.672300163e+01 1.76 6.160824322e+01 6.160824322e+01 1.78 5.678371861e+01 5.678371861e+01 1.80 5.222873167e+01 5.222873167e+01 1.82 4.792244084e+01 4.792244084e+01 1.84 4.384479242e+01 4.384479242e+01 1.86 3.998225000e+01 3.998225000e+01 1.88 3.632319002e+01 3.632319002e+01 1.90 3.285411341e+01 3.285411341e+01 1.92 2.956542711e+01 2.956542711e+01 1.94 2.649073361e+01 2.649073361e+01 1.96 2.364678244e+01 2.364678244e+01 1.98 2.102455105e+01 2.102455105e+01 2.00 1.861394426e+01 1.861394426e+01 2.02 1.640376391e+01 1.640376391e+01 2.04 1.438153323e+01 1.438153323e+01 2.06 1.253373664e+01 1.253373664e+01 2.08 1.084632406e+01 1.084632406e+01 2.10 9.305303008e+00 9.305303008e+00 2.12 7.897264151e+00 7.897264151e+00 2.14 6.609751698e+00 6.609751698e+00 2.16 5.431465592e+00 5.431465592e+00 2.18 4.352328177e+00 4.352328177e+00 2.20 3.363455897e+00 3.363455897e+00 2.22 2.457066236e+00 2.457066236e+00 2.24 1.626341635e+00 1.626341635e+00 2.26 8.652703858e-01 8.652703858e-01 2.28 1.684849507e-01 1.684849507e-01 2.30 -4.688835180e-01 -4.688835180e-01 2.32 -1.051319785e+00 -1.051319785e+00 2.34 -1.582999940e+00 -1.582999940e+00 2.36 -2.067827207e+00 -2.067827207e+00 2.38 -2.509435923e+00 -2.509435923e+00 2.40 -2.911178404e+00 -2.911178404e+00 2.42 -3.276112096e+00 -3.276112096e+00 2.44 -3.607001989e+00 -3.607001989e+00 2.46 -3.906346334e+00 -3.906346334e+00 2.48 -4.176424643e+00 -4.176424643e+00 2.50 -4.419358297e+00 -4.419358297e+00 2.52 -4.637168340e+00 -4.637168340e+00 2.54 -4.831814808e+00 -4.831814808e+00 2.56 -5.005207949e+00 -5.005207949e+00 2.58 -5.159037560e+00 -5.159037560e+00 2.60 -5.295054303e+00 -5.295054303e+00 2.62 -5.415060739e+00 -5.415060739e+00 2.64 -5.520639106e+00 -5.520639106e+00 2.66 -5.613138340e+00 -5.613138340e+00 2.68 -5.693678707e+00 -5.693678707e+00 2.70 -5.763172341e+00 -5.763172341e+00 2.72 -5.822354842e+00 -5.822354842e+00 2.74 -5.871796882e+00 -5.871796882e+00 2.76 -5.912415128e+00 -5.912415128e+00 2.78 -5.944759260e+00 -5.944759260e+00 2.80 -5.968720880e+00 -5.968720880e+00 2.82 -5.984250492e+00 -5.984250492e+00 2.84 -5.991352674e+00 -5.991352674e+00 2.86 -5.990084518e+00 -5.990084518e+00 2.88 -5.980557065e+00 -5.980557065e+00 2.90 -5.962938864e+00 -5.962938864e+00 2.92 -5.937459986e+00 -5.937459986e+00 2.94 -5.904414232e+00 -5.904414232e+00 2.96 -5.864157049e+00 -5.864157049e+00 2.98 -5.817097253e+00 -5.817097253e+00 3.00 -5.763682062e+00 -5.763682062e+00 3.02 -5.704376865e+00 -5.704376865e+00 3.04 -5.639642856e+00 -5.639642856e+00 3.06 -5.569916491e+00 -5.569916491e+00 3.08 -5.495891478e+00 -5.495891478e+00 3.10 -5.418307149e+00 -5.418307149e+00 3.12 -5.337226366e+00 -5.337226366e+00 3.14 -5.252701796e+00 -5.252701796e+00 3.16 -5.164799944e+00 -5.164799944e+00 3.18 -5.073614005e+00 -5.073614005e+00 3.20 -4.979276911e+00 -4.979276911e+00 3.22 -4.881972768e+00 -4.881972768e+00 3.24 -4.781945040e+00 -4.781945040e+00 3.26 -4.679502863e+00 -4.679502863e+00 3.28 -4.575024454e+00 -4.575024454e+00 3.30 -4.468937714e+00 -4.468937714e+00 3.32 -4.361703272e+00 -4.361703272e+00 3.34 -4.253794492e+00 -4.253794492e+00 3.36 -4.145674530e+00 -4.145674530e+00 3.38 -4.037773085e+00 -4.037773085e+00 3.40 -3.930465549e+00 -3.930465549e+00 3.42 -3.824056845e+00 -3.824056845e+00 3.44 -3.718771379e+00 -3.718771379e+00 3.46 -3.614749615e+00 -3.614749615e+00 3.48 -3.512050796e+00 -3.512050796e+00 3.50 -3.410660733e+00 -3.410660733e+00 3.52 -3.310503226e+00 -3.310503226e+00 3.54 -3.211453691e+00 -3.211453691e+00 3.56 -3.113353771e+00 -3.113353771e+00 3.58 -3.016026046e+00 -3.016026046e+00 3.60 -2.919288273e+00 -2.919288273e+00 3.62 -2.822977902e+00 -2.822977902e+00 3.64 -2.727062692e+00 -2.727062692e+00 3.66 -2.631601281e+00 -2.631601281e+00 3.68 -2.536687972e+00 -2.536687972e+00 3.70 -2.442458066e+00 -2.442458066e+00 3.72 -2.349090562e+00 -2.349090562e+00 3.74 -2.256807117e+00 -2.256807117e+00 3.76 -2.165867112e+00 -2.165867112e+00 3.78 -2.076558955e+00 -2.076558955e+00 3.80 -1.989188132e+00 -1.989188132e+00 3.82 -1.904062916e+00 -1.904062916e+00 3.84 -1.821478990e+00 -1.821478990e+00 3.86 -1.741704400e+00 -1.741704400e+00 3.88 -1.664966286e+00 -1.664966286e+00 3.90 -1.591440591e+00 -1.591440591e+00 3.92 -1.521245560e+00 -1.521245560e+00 3.94 -1.454439391e+00 -1.454439391e+00 3.96 -1.391021836e+00 -1.391021836e+00 3.98 -1.330939280e+00 -1.330939280e+00 4.00 -1.274092447e+00 -1.274092447e+00 4.02 -1.220345818e+00 -1.220345818e+00 4.04 -1.169537858e+00 -1.169537858e+00 4.06 -1.121491229e+00 -1.121491229e+00 4.08 -1.076022334e+00 -1.076022334e+00 4.10 -1.032949641e+00 -1.032949641e+00 4.12 -9.921005185e-01 -9.921005185e-01 4.14 -9.533161085e-01 -9.533161085e-01 4.16 -9.164544325e-01 -9.164544325e-01 4.18 -8.813915066e-01 -8.813915066e-01 4.20 -8.480207120e-01 -8.480207120e-01 4.22 -8.162506935e-01 -8.162506935e-01 4.24 -7.860021976e-01 -7.860021976e-01 4.26 -7.572043393e-01 -7.572043393e-01 4.28 -7.297908039e-01 -7.297908039e-01 4.30 -7.036964342e-01 -7.036964342e-01 4.32 -6.788545372e-01 -6.788545372e-01 4.34 -6.551950908e-01 -6.551950908e-01 4.36 -6.326438795e-01 -6.326438795e-01 4.38 -6.111224544e-01 -6.111224544e-01 4.40 -5.905487348e-01 -5.905487348e-01 4.42 -5.708380309e-01 -5.708380309e-01 4.44 -5.519042743e-01 -5.519042743e-01 4.46 -5.336612873e-01 -5.336612873e-01 4.48 -5.160239661e-01 -5.160239661e-01 4.50 -4.989092984e-01 -4.989092984e-01 4.52 -4.822372090e-01 -4.822372090e-01 4.54 -4.659312796e-01 -4.659312796e-01 4.56 -4.499193491e-01 -4.499193491e-01 4.58 -4.341339620e-01 -4.341339620e-01 4.60 -4.185129395e-01 -4.185129395e-01 4.62 -4.030005369e-01 -4.030005369e-01 4.64 -3.875476114e-01 -3.875476114e-01 4.66 -3.721131610e-01 -3.721131610e-01 4.68 -3.566635463e-01 -3.566635463e-01 4.70 -3.411743049e-01 -3.411743049e-01 4.72 -3.256316379e-01 -3.256316379e-01 4.74 -3.100331307e-01 -3.100331307e-01 4.76 -2.943883104e-01 -2.943883104e-01 4.78 -2.787189025e-01 -2.787189025e-01 4.80 -2.630586598e-01 -2.630586598e-01 4.82 -2.474527128e-01 -2.474527128e-01 4.84 -2.319563033e-01 -2.319563033e-01 4.86 -2.166330469e-01 -2.166330469e-01 4.88 -2.015526962e-01 -2.015526962e-01 4.90 -1.867885711e-01 -1.867885711e-01 4.92 -1.724148053e-01 -1.724148053e-01 4.94 -1.585035839e-01 -1.585035839e-01 4.96 -1.451225359e-01 -1.451225359e-01 4.98 -1.323324234e-01 -1.323324234e-01 5.00 -1.201852343e-01 -1.201852343e-01 5.02 -1.087227501e-01 -1.087227501e-01 5.04 -9.797562385e-02 -9.797562385e-02 5.06 -8.796297413e-02 -8.796297413e-02 5.08 -7.869247197e-02 -7.869247197e-02 5.10 -7.016087616e-02 -7.016087616e-02 5.12 -6.235495020e-02 -6.235495020e-02 5.14 -5.525267856e-02 -5.525267856e-02 5.16 -4.882469105e-02 -4.882469105e-02 5.18 -4.303578971e-02 -4.303578971e-02 5.20 -3.784649209e-02 -3.784649209e-02 5.22 -3.321452607e-02 -3.321452607e-02 5.24 -2.909619069e-02 -2.909619069e-02 5.26 -2.544754140e-02 -2.544754140e-02 5.28 -2.222535955e-02 -2.222535955e-02 5.30 -1.938793599e-02 -1.938793599e-02 5.32 -1.689559531e-02 -1.689559531e-02 5.34 -1.471082771e-02 -1.471082771e-02 5.36 -1.279951670e-02 -1.279951670e-02 5.38 -1.113039163e-02 -1.113039163e-02 5.40 -9.674936532e-03 -9.674936532e-03 5.42 -8.407374415e-03 -8.407374415e-03 5.44 -7.304575117e-03 -7.304575117e-03 5.46 -6.345911977e-03 -6.345911977e-03 5.48 -5.513087104e-03 -5.513087104e-03 5.50 -4.789940316e-03 -4.789940316e-03 5.52 -4.162252832e-03 -4.162252832e-03 5.54 -3.617553610e-03 -3.617553610e-03 5.56 -3.144933661e-03 -3.144933661e-03 5.58 -2.734871719e-03 -2.734871719e-03 5.60 -2.379073225e-03 -2.379073225e-03 5.62 -2.070323452e-03 -2.070323452e-03 5.64 -1.802354895e-03 -1.802354895e-03 5.66 -1.569728527e-03 -1.569728527e-03 5.68 -1.367728159e-03 -1.367728159e-03 5.70 -1.192267002e-03 -1.192267002e-03 5.72 -1.039805382e-03 -1.039805382e-03 5.74 -9.072785587e-04 -9.072785587e-04 5.76 -7.920336053e-04 -7.920336053e-04 5.78 -6.917743569e-04 -6.917743569e-04 5.80 -6.045135006e-04 -6.045135006e-04 5.82 -5.285309552e-04 -5.285309552e-04 5.84 -4.623377686e-04 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