# 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 = AgPt2W # 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 4.322386304e+02 4.322386304e+02 1.30 4.029474489e+02 4.029474489e+02 1.32 3.756164412e+02 3.756164412e+02 1.34 3.501007516e+02 3.501007516e+02 1.36 3.262805686e+02 3.262805686e+02 1.38 3.040529630e+02 3.040529630e+02 1.40 2.833238939e+02 2.833238939e+02 1.42 2.640021222e+02 2.640021222e+02 1.44 2.459942297e+02 2.459942297e+02 1.46 2.292034530e+02 2.292034530e+02 1.48 2.135339398e+02 2.135339398e+02 1.50 1.988959040e+02 1.988959040e+02 1.52 1.852070880e+02 1.852070880e+02 1.54 1.723912991e+02 1.723912991e+02 1.56 1.603770796e+02 1.603770796e+02 1.58 1.490975753e+02 1.490975753e+02 1.60 1.384908121e+02 1.384908121e+02 1.62 1.284998624e+02 1.284998624e+02 1.64 1.190732082e+02 1.190732082e+02 1.66 1.101655891e+02 1.101655891e+02 1.68 1.017389778e+02 1.017389778e+02 1.70 9.376296913e+01 9.376296913e+01 1.72 8.621405375e+01 8.621405375e+01 1.74 7.907373450e+01 7.907373450e+01 1.76 7.232612237e+01 7.232612237e+01 1.78 6.595627818e+01 6.595627818e+01 1.80 5.994980269e+01 5.994980269e+01 1.82 5.429244127e+01 5.429244127e+01 1.84 4.897436015e+01 4.897436015e+01 1.86 4.407690285e+01 4.407690285e+01 1.88 3.961535398e+01 3.961535398e+01 1.90 3.555636762e+01 3.555636762e+01 1.92 3.186622648e+01 3.186622648e+01 1.94 2.851094521e+01 2.851094521e+01 1.96 2.545724055e+01 2.545724055e+01 1.98 2.267390210e+01 2.267390210e+01 2.00 2.013287681e+01 2.013287681e+01 2.02 1.780967833e+01 1.780967833e+01 2.04 1.568318567e+01 1.568318567e+01 2.06 1.373512995e+01 1.373512995e+01 2.08 1.194953297e+01 1.194953297e+01 2.10 1.031222370e+01 1.031222370e+01 2.12 8.810464394e+00 8.810464394e+00 2.14 7.432689834e+00 7.432689834e+00 2.16 6.168359047e+00 6.168359047e+00 2.18 5.007900263e+00 5.007900263e+00 2.20 3.942705058e+00 3.942705058e+00 2.22 2.965120415e+00 2.965120415e+00 2.24 2.068405632e+00 2.068405632e+00 2.26 1.246648637e+00 1.246648637e+00 2.28 4.946551006e-01 4.946551006e-01 2.30 -1.921716153e-01 -1.921716153e-01 2.32 -8.179462400e-01 -8.179462400e-01 2.34 -1.386406496e+00 -1.386406496e+00 2.36 -1.901005867e+00 -1.901005867e+00 2.38 -2.364995422e+00 -2.364995422e+00 2.40 -2.781496169e+00 -2.781496169e+00 2.42 -3.153558405e+00 -3.153558405e+00 2.44 -3.484144355e+00 -3.484144355e+00 2.46 -3.776337262e+00 -3.776337262e+00 2.48 -4.033294183e+00 -4.033294183e+00 2.50 -4.258182427e+00 -4.258182427e+00 2.52 -4.454142369e+00 -4.454142369e+00 2.54 -4.624223206e+00 -4.624223206e+00 2.56 -4.771298378e+00 -4.771298378e+00 2.58 -4.897976410e+00 -4.897976410e+00 2.60 -5.006437388e+00 -5.006437388e+00 2.62 -5.098508309e+00 -5.098508309e+00 2.64 -5.177669577e+00 -5.177669577e+00 2.66 -5.245111847e+00 -5.245111847e+00 2.68 -5.301145870e+00 -5.301145870e+00 2.70 -5.346042797e+00 -5.346042797e+00 2.72 -5.380058303e+00 -5.380058303e+00 2.74 -5.403449852e+00 -5.403449852e+00 2.76 -5.416486436e+00 -5.416486436e+00 2.78 -5.419452548e+00 -5.419452548e+00 2.80 -5.412649175e+00 -5.412649175e+00 2.82 -5.396394704e+00 -5.396394704e+00 2.84 -5.371028383e+00 -5.371028383e+00 2.86 -5.336918005e+00 -5.336918005e+00 2.88 -5.294472221e+00 -5.294472221e+00 2.90 -5.244156105e+00 -5.244156105e+00 2.92 -5.186506531e+00 -5.186506531e+00 2.94 -5.122142191e+00 -5.122142191e+00 2.96 -5.051762580e+00 -5.051762580e+00 2.98 -4.976131743e+00 -4.976131743e+00 3.00 -4.896046408e+00 -4.896046408e+00 3.02 -4.812296541e+00 -4.812296541e+00 3.04 -4.725739741e+00 -4.725739741e+00 3.06 -4.636928428e+00 -4.636928428e+00 3.08 -4.546220518e+00 -4.546220518e+00 3.10 -4.453898347e+00 -4.453898347e+00 3.12 -4.360167466e+00 -4.360167466e+00 3.14 -4.265164563e+00 -4.265164563e+00 3.16 -4.168970674e+00 -4.168970674e+00 3.18 -4.071631209e+00 -4.071631209e+00 3.20 -3.973170989e+00 -3.973170989e+00 3.22 -3.873599963e+00 -3.873599963e+00 3.24 -3.772926648e+00 -3.772926648e+00 3.26 -3.671170743e+00 -3.671170743e+00 3.28 -3.568374245e+00 -3.568374245e+00 3.30 -3.464611061e+00 -3.464611061e+00 3.32 -3.359994961e+00 -3.359994961e+00 3.34 -3.254685522e+00 -3.254685522e+00 3.36 -3.148891583e+00 -3.148891583e+00 3.38 -3.042872726e+00 -3.042872726e+00 3.40 -2.937076375e+00 -2.937076375e+00 3.42 -2.832243603e+00 -2.832243603e+00 3.44 -2.729100802e+00 -2.729100802e+00 3.46 -2.628304258e+00 -2.628304258e+00 3.48 -2.530423674e+00 -2.530423674e+00 3.50 -2.435928414e+00 -2.435928414e+00 3.52 -2.345178462e+00 -2.345178462e+00 3.54 -2.258421294e+00 -2.258421294e+00 3.56 -2.175794928e+00 -2.175794928e+00 3.58 -2.097336540e+00 -2.097336540e+00 3.60 -2.022995403e+00 -2.022995403e+00 3.62 -1.952648502e+00 -1.952648502e+00 3.64 -1.886117187e+00 -1.886117187e+00 3.66 -1.823183398e+00 -1.823183398e+00 3.68 -1.763604415e+00 -1.763604415e+00 3.70 -1.707125437e+00 -1.707125437e+00 3.72 -1.653489746e+00 -1.653489746e+00 3.74 -1.602446464e+00 -1.602446464e+00 3.76 -1.553756127e+00 -1.553756127e+00 3.78 -1.507194407e+00 -1.507194407e+00 3.80 -1.462554340e+00 -1.462554340e+00 3.82 -1.419647399e+00 -1.419647399e+00 3.84 -1.378303708e+00 -1.378303708e+00 3.86 -1.338371655e+00 -1.338371655e+00 3.88 -1.299717083e+00 -1.299717083e+00 3.90 -1.262222237e+00 -1.262222237e+00 3.92 -1.225784587e+00 -1.225784587e+00 3.94 -1.190315637e+00 -1.190315637e+00 3.96 -1.155739791e+00 -1.155739791e+00 3.98 -1.121993359e+00 -1.121993359e+00 4.00 -1.089023726e+00 -1.089023726e+00 4.02 -1.056788682e+00 -1.056788682e+00 4.04 -1.025255895e+00 -1.025255895e+00 4.06 -9.944024472e-01 -9.944024472e-01 4.08 -9.642143415e-01 -9.642143415e-01 4.10 -9.346858482e-01 -9.346858482e-01 4.12 -9.058186210e-01 -9.058186210e-01 4.14 -8.776203793e-01 -8.776203793e-01 4.16 -8.501032846e-01 -8.501032846e-01 4.18 -8.232819326e-01 -8.232819326e-01 4.20 -7.971711410e-01 -7.971711410e-01 4.22 -7.717837152e-01 -7.717837152e-01 4.24 -7.471284114e-01 -7.471284114e-01 4.26 -7.232082917e-01 -7.232082917e-01 4.28 -7.000196020e-01 -7.000196020e-01 4.30 -6.775512074e-01 -6.775512074e-01 4.32 -6.557845341e-01 -6.557845341e-01 4.34 -6.346939008e-01 -6.346939008e-01 4.36 -6.142471014e-01 -6.142471014e-01 4.38 -5.944061136e-01 -5.944061136e-01 4.40 -5.751278460e-01 -5.751278460e-01 4.42 -5.563648801e-01 -5.563648801e-01 4.44 -5.380662001e-01 -5.380662001e-01 4.46 -5.201779267e-01 -5.201779267e-01 4.48 -5.026440794e-01 -5.026440794e-01 4.50 -4.854073900e-01 -4.854073900e-01 4.52 -4.684101903e-01 -4.684101903e-01 4.54 -4.515953901e-01 -4.515953901e-01 4.56 -4.349075634e-01 -4.349075634e-01 4.58 -4.182941582e-01 -4.182941582e-01 4.60 -4.017068447e-01 -4.017068447e-01 4.62 -3.851030081e-01 -3.851030081e-01 4.64 -3.684473780e-01 -3.684473780e-01 4.66 -3.517137612e-01 -3.517137612e-01 4.68 -3.348868158e-01 -3.348868158e-01 4.70 -3.179637645e-01 -3.179637645e-01 4.72 -3.009559045e-01 -3.009559045e-01 4.74 -2.838897430e-01 -2.838897430e-01 4.76 -2.668075613e-01 -2.668075613e-01 4.78 -2.497672222e-01 -2.497672222e-01 4.80 -2.328410643e-01 -2.328410643e-01 4.82 -2.161138114e-01 -2.161138114e-01 4.84 -1.996794944e-01 -1.996794944e-01 4.86 -1.836375535e-01 -1.836375535e-01 4.88 -1.680883572e-01 -1.680883572e-01 4.90 -1.531284989e-01 -1.531284989e-01 4.92 -1.388462704e-01 -1.388462704e-01 4.94 -1.253177049e-01 -1.253177049e-01 4.96 -1.126035267e-01 -1.126035267e-01 4.98 -1.007471936e-01 -1.007471936e-01 5.00 -8.977412712e-02 -8.977412712e-02 5.02 -7.969206904e-02 -7.969206904e-02 5.04 -7.049239405e-02 -7.049239405e-02 5.06 -6.215214100e-02 -6.215214100e-02 5.08 -5.463675939e-02 -5.463675939e-02 5.10 -4.790298300e-02 -4.790298300e-02 5.12 -4.189983714e-02 -4.189983714e-02 5.14 -3.657232988e-02 -3.657232988e-02 5.16 -3.186370908e-02 -3.186370908e-02 5.18 -2.771723635e-02 -2.771723635e-02 5.20 -2.407758202e-02 -2.407758202e-02 5.22 -2.089186905e-02 -2.089186905e-02 5.24 -1.811039490e-02 -1.811039490e-02 5.26 -1.568695820e-02 -1.568695820e-02 5.28 -1.357893734e-02 -1.357893734e-02 5.30 -1.174836580e-02 -1.174836580e-02 5.32 -1.016099991e-02 -1.016099991e-02 5.34 -8.786131362e-03 -8.786131362e-03 5.36 -7.596425611e-03 -7.596425611e-03 5.38 -6.567699435e-03 -6.567699435e-03 5.40 -5.678665617e-03 -5.678665617e-03 5.42 -4.910664796e-03 -4.910664796e-03 5.44 -4.247398211e-03 -4.247398211e-03 5.46 -3.674670446e-03 -3.674670446e-03 5.48 -3.180147843e-03 -3.180147843e-03 5.50 -2.753135712e-03 -2.753135712e-03 5.52 -2.384375744e-03 -2.384375744e-03 5.54 -2.065863801e-03 -2.065863801e-03 5.56 -1.790687456e-03 -1.790687456e-03 5.58 -1.552882154e-03 -1.552882154e-03 5.60 -1.347304614e-03 -1.347304614e-03 5.62 -1.169521906e-03 -1.169521906e-03 5.64 -1.015714650e-03 -1.015714650e-03 5.66 -8.825928121e-04 -8.825928121e-04 5.68 -7.673226457e-04 -7.673226457e-04 5.70 -6.674634443e-04 -6.674634443e-04 5.72 -5.809128845e-04 -5.809128845e-04 5.74 -5.058598617e-04 -5.058598617e-04 5.76 -4.407438380e-04 -4.407438380e-04 5.78 -3.842198369e-04 -3.842198369e-04 5.80 -3.351283220e-04 -3.351283220e-04 5.82 -2.924692921e-04 -2.924692921e-04 5.84 -2.553800111e-04 -2.553800111e-04 5.86 -2.231158693e-04 -2.231158693e-04 5.88 -1.950339360e-04 -1.950339360e-04 5.90 -1.705788275e-04 -1.705788275e-04 5.92 -1.492705638e-04 -1.492705638e-04 5.94 -1.306941323e-04 -1.306941323e-04 5.96 -1.144905179e-04 -1.144905179e-04 5.98 -1.003489914e-04 -1.003489914e-04 6.00 -8.800047836e-05 -8.800047836e-05