# 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 = NiPtZr2 # 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 3.559448270e+02 3.559448270e+02 1.30 3.320368723e+02 3.320368723e+02 1.32 3.097796746e+02 3.097796746e+02 1.34 2.890513631e+02 2.890513631e+02 1.36 2.697414414e+02 2.697414414e+02 1.38 2.517461039e+02 2.517461039e+02 1.40 2.349656022e+02 2.349656022e+02 1.42 2.193053147e+02 2.193053147e+02 1.44 2.046784821e+02 2.046784821e+02 1.46 1.910072697e+02 1.910072697e+02 1.48 1.782218454e+02 1.782218454e+02 1.50 1.662592927e+02 1.662592927e+02 1.52 1.550628747e+02 1.550628747e+02 1.54 1.445807335e+02 1.445807335e+02 1.56 1.347643515e+02 1.347643515e+02 1.58 1.255670317e+02 1.255670317e+02 1.60 1.169433693e+02 1.169433693e+02 1.62 1.088497363e+02 1.088497363e+02 1.64 1.012456258e+02 1.012456258e+02 1.66 9.409487780e+01 9.409487780e+01 1.68 8.736649799e+01 8.736649799e+01 1.70 8.103470937e+01 8.103470937e+01 1.72 7.507812936e+01 7.507812936e+01 1.74 6.947814795e+01 6.947814795e+01 1.76 6.421701851e+01 6.421701851e+01 1.78 5.927642776e+01 5.927642776e+01 1.80 5.463719016e+01 5.463719016e+01 1.82 5.027979378e+01 5.027979378e+01 1.84 4.618541623e+01 4.618541623e+01 1.86 4.233656816e+01 4.233656816e+01 1.88 3.871709763e+01 3.871709763e+01 1.90 3.531178944e+01 3.531178944e+01 1.92 3.210634200e+01 3.210634200e+01 1.94 2.908761451e+01 2.908761451e+01 1.96 2.624253066e+01 2.624253066e+01 1.98 2.356958039e+01 2.356958039e+01 2.00 2.109211404e+01 2.109211404e+01 2.02 1.879860725e+01 1.879860725e+01 2.04 1.667589375e+01 1.667589375e+01 2.06 1.471214988e+01 1.471214988e+01 2.08 1.289665472e+01 1.289665472e+01 2.10 1.121960716e+01 1.121960716e+01 2.12 9.671880298e+00 9.671880298e+00 2.14 8.244830143e+00 8.244830143e+00 2.16 6.930149363e+00 6.930149363e+00 2.18 5.719827526e+00 5.719827526e+00 2.20 4.606223369e+00 4.606223369e+00 2.22 3.582144696e+00 3.582144696e+00 2.24 2.640913497e+00 2.640913497e+00 2.26 1.776389078e+00 1.776389078e+00 2.28 9.829421354e-01 9.829421354e-01 2.30 2.554417139e-01 2.554417139e-01 2.32 -4.108021780e-01 -4.108021780e-01 2.34 -1.020100721e+00 -1.020100721e+00 2.36 -1.576435079e+00 -1.576435079e+00 2.38 -2.083510192e+00 -2.083510192e+00 2.40 -2.544796848e+00 -2.544796848e+00 2.42 -2.963572808e+00 -2.963572808e+00 2.44 -3.342942268e+00 -3.342942268e+00 2.46 -3.685860873e+00 -3.685860873e+00 2.48 -3.995143239e+00 -3.995143239e+00 2.50 -4.273465375e+00 -4.273465375e+00 2.52 -4.523362397e+00 -4.523362397e+00 2.54 -4.747220121e+00 -4.747220121e+00 2.56 -4.947257921e+00 -4.947257921e+00 2.58 -5.125505261e+00 -5.125505261e+00 2.60 -5.283781656e+00 -5.283781656e+00 2.62 -5.423689323e+00 -5.423689323e+00 2.64 -5.546637605e+00 -5.546637605e+00 2.66 -5.653859738e+00 -5.653859738e+00 2.68 -5.746462544e+00 -5.746462544e+00 2.70 -5.825460017e+00 -5.825460017e+00 2.72 -5.891800596e+00 -5.891800596e+00 2.74 -5.946478191e+00 -5.946478191e+00 2.76 -5.990324025e+00 -5.990324025e+00 2.78 -6.024027822e+00 -6.024027822e+00 2.80 -6.048254809e+00 -6.048254809e+00 2.82 -6.063644363e+00 -6.063644363e+00 2.84 -6.071626029e+00 -6.071626029e+00 2.86 -6.072942116e+00 -6.072942116e+00 2.88 -6.067845543e+00 -6.067845543e+00 2.90 -6.056603952e+00 -6.056603952e+00 2.92 -6.039404569e+00 -6.039404569e+00 2.94 -6.016332726e+00 -6.016332726e+00 2.96 -5.987543511e+00 -5.987543511e+00 2.98 -5.953264765e+00 -5.953264765e+00 3.00 -5.913779996e+00 -5.913779996e+00 3.02 -5.869406115e+00 -5.869406115e+00 3.04 -5.820470351e+00 -5.820470351e+00 3.06 -5.767309699e+00 -5.767309699e+00 3.08 -5.710234158e+00 -5.710234158e+00 3.10 -5.649540667e+00 -5.649540667e+00 3.12 -5.585505922e+00 -5.585505922e+00 3.14 -5.518407712e+00 -5.518407712e+00 3.16 -5.448505207e+00 -5.448505207e+00 3.18 -5.376062283e+00 -5.376062283e+00 3.20 -5.301314286e+00 -5.301314286e+00 3.22 -5.224451533e+00 -5.224451533e+00 3.24 -5.145678267e+00 -5.145678267e+00 3.26 -5.065218454e+00 -5.065218454e+00 3.28 -4.983314111e+00 -4.983314111e+00 3.30 -4.900221435e+00 -4.900221435e+00 3.32 -4.816203522e+00 -4.816203522e+00 3.34 -4.731519661e+00 -4.731519661e+00 3.36 -4.646412807e+00 -4.646412807e+00 3.38 -4.561097918e+00 -4.561097918e+00 3.40 -4.475752259e+00 -4.475752259e+00 3.42 -4.390518910e+00 -4.390518910e+00 3.44 -4.305498090e+00 -4.305498090e+00 3.46 -4.220760018e+00 -4.220760018e+00 3.48 -4.136350061e+00 -4.136350061e+00 3.50 -4.052295993e+00 -4.052295993e+00 3.52 -3.968614290e+00 -3.968614290e+00 3.54 -3.885315001e+00 -3.885315001e+00 3.56 -3.802405147e+00 -3.802405147e+00 3.58 -3.719890861e+00 -3.719890861e+00 3.60 -3.637778546e+00 -3.637778546e+00 3.62 -3.556075372e+00 -3.556075372e+00 3.64 -3.474789407e+00 -3.474789407e+00 3.66 -3.393929679e+00 -3.393929679e+00 3.68 -3.313506445e+00 -3.313506445e+00 3.70 -3.233531928e+00 -3.233531928e+00 3.72 -3.154021691e+00 -3.154021691e+00 3.74 -3.074996716e+00 -3.074996716e+00 3.76 -2.996486084e+00 -2.996486084e+00 3.78 -2.918534739e+00 -2.918534739e+00 3.80 -2.841232729e+00 -2.841232729e+00 3.82 -2.764693023e+00 -2.764693023e+00 3.84 -2.689036717e+00 -2.689036717e+00 3.86 -2.614391249e+00 -2.614391249e+00 3.88 -2.540886146e+00 -2.540886146e+00 3.90 -2.468646708e+00 -2.468646708e+00 3.92 -2.397783347e+00 -2.397783347e+00 3.94 -2.328398173e+00 -2.328398173e+00 3.96 -2.260557836e+00 -2.260557836e+00 3.98 -2.194305891e+00 -2.194305891e+00 4.00 -2.129658803e+00 -2.129658803e+00 4.02 -2.066608763e+00 -2.066608763e+00 4.04 -2.005128525e+00 -2.005128525e+00 4.06 -1.945177340e+00 -1.945177340e+00 4.08 -1.886707079e+00 -1.886707079e+00 4.10 -1.829660485e+00 -1.829660485e+00 4.12 -1.774006474e+00 -1.774006474e+00 4.14 -1.719694794e+00 -1.719694794e+00 4.16 -1.666692119e+00 -1.666692119e+00 4.18 -1.614973399e+00 -1.614973399e+00 4.20 -1.564521143e+00 -1.564521143e+00 4.22 -1.515323773e+00 -1.515323773e+00 4.24 -1.467373394e+00 -1.467373394e+00 4.26 -1.420663349e+00 -1.420663349e+00 4.28 -1.375185952e+00 -1.375185952e+00 4.30 -1.330930701e+00 -1.330930701e+00 4.32 -1.287883186e+00 -1.287883186e+00 4.34 -1.246024742e+00 -1.246024742e+00 4.36 -1.205332778e+00 -1.205332778e+00 4.38 -1.165781611e+00 -1.165781611e+00 4.40 -1.127343530e+00 -1.127343530e+00 4.42 -1.089989855e+00 -1.089989855e+00 4.44 -1.053691750e+00 -1.053691750e+00 4.46 -1.018420655e+00 -1.018420655e+00 4.48 -9.841482803e-01 -9.841482803e-01 4.50 -9.508462141e-01 -9.508462141e-01 4.52 -9.184852722e-01 -9.184852722e-01 4.54 -8.870347806e-01 -8.870347806e-01 4.56 -8.564619898e-01 -8.564619898e-01 4.58 -8.267317985e-01 -8.267317985e-01 4.60 -7.978069094e-01 -7.978069094e-01 4.62 -7.696484658e-01 -7.696484658e-01 4.64 -7.422171450e-01 -7.422171450e-01 4.66 -7.154746185e-01 -7.154746185e-01 4.68 -6.893852432e-01 -6.893852432e-01 4.70 -6.639178229e-01 -6.639178229e-01 4.72 -6.390472657e-01 -6.390472657e-01 4.74 -6.147559729e-01 -6.147559729e-01 4.76 -5.910348061e-01 -5.910348061e-01 4.78 -5.678835113e-01 -5.678835113e-01 4.80 -5.453044396e-01 -5.453044396e-01 4.82 -5.233270122e-01 -5.233270122e-01 4.84 -5.019665324e-01 -5.019665324e-01 4.86 -4.812499256e-01 -4.812499256e-01 4.88 -4.612060468e-01 -4.612060468e-01 4.90 -4.418631426e-01 -4.418631426e-01 4.92 -4.232463846e-01 -4.232463846e-01 4.94 -4.053756956e-01 -4.053756956e-01 4.96 -3.882640464e-01 -3.882640464e-01 4.98 -3.719163397e-01 -3.719163397e-01 5.00 -3.563289234e-01 -3.563289234e-01 5.02 -3.414897018e-01 -3.414897018e-01 5.04 -3.273787564e-01 -3.273787564e-01 5.06 -3.139693515e-01 -3.139693515e-01 5.08 -3.012291853e-01 -3.012291853e-01 5.10 -2.891217529e-01 -2.891217529e-01 5.12 -2.776077105e-01 -2.776077105e-01 5.14 -2.666461559e-01 -2.666461559e-01 5.16 -2.561957730e-01 -2.561957730e-01 5.18 -2.462158139e-01 -2.462158139e-01 5.20 -2.366669149e-01 -2.366669149e-01 5.22 -2.275117585e-01 -2.275117585e-01 5.24 -2.187156003e-01 -2.187156003e-01 5.26 -2.102466845e-01 -2.102466845e-01 5.28 -2.020765688e-01 -2.020765688e-01 5.30 -1.941803736e-01 -1.941803736e-01 5.32 -1.865369634e-01 -1.865369634e-01 5.34 -1.791290595e-01 -1.791290595e-01 5.36 -1.719432754e-01 -1.719432754e-01 5.38 -1.649700584e-01 -1.649700584e-01 5.40 -1.582035216e-01 -1.582035216e-01 5.42 -1.516411486e-01 -1.516411486e-01 5.44 -1.452833633e-01 -1.452833633e-01 5.46 -1.391329670e-01 -1.391329670e-01 5.48 -1.331944627e-01 -1.331944627e-01 5.50 -1.274732994e-01 -1.274732994e-01 5.52 -1.219750878e-01 -1.219750878e-01 5.54 -1.167048449e-01 -1.167048449e-01 5.56 -1.116663239e-01 -1.116663239e-01 5.58 -1.068614790e-01 -1.068614790e-01 5.60 -1.022900121e-01 -1.022900121e-01 5.62 -9.794906266e-02 -9.794906266e-02 5.64 -9.383394142e-02 -9.383394142e-02 5.66 -8.993775027e-02 -8.993775027e-02 5.68 -8.625160438e-02 -8.625160438e-02 5.70 -8.276500413e-02 -8.276500413e-02 5.72 -7.946624103e-02 -7.946624103e-02 5.74 -7.634280135e-02 -7.634280135e-02 5.76 -7.338173947e-02 -7.338173947e-02 5.78 -7.057000305e-02 -7.057000305e-02 5.80 -6.789470032e-02 -6.789470032e-02 5.82 -6.534330791e-02 -6.534330791e-02 5.84 -6.290382232e-02 -6.290382232e-02 5.86 -6.056486229e-02 -6.056486229e-02 5.88 -5.831573063e-02 -5.831573063e-02 5.90 -5.614644509e-02 -5.614644509e-02 5.92 -5.404774718e-02 -5.404774718e-02 5.94 -5.201109739e-02 -5.201109739e-02 5.96 -5.002866358e-02 -5.002866358e-02 5.98 -4.809330875e-02 -4.809330875e-02 6.00 -4.619858235e-02 -4.619858235e-02