# 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 = Pb2Pd # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 4.742221332e+02 1.16 4.410228007e+02 1.18 4.103174731e+02 1.20 3.818927535e+02 1.22 3.555548307e+02 1.24 3.311284721e+02 1.26 3.084564076e+02 1.28 2.873973977e+02 1.30 2.678233446e+02 1.32 2.496166466e+02 1.34 2.326686869e+02 1.36 2.168796017e+02 1.38 2.021587711e+02 1.40 1.884249774e+02 1.42 1.756054361e+02 1.44 1.636339928e+02 1.46 1.524495739e+02 1.48 1.419954809e+02 1.50 1.322191729e+02 1.52 1.230719959e+02 1.54 1.145089121e+02 1.56 1.064883823e+02 1.58 9.898328914e+01 1.60 9.199238477e+01 1.62 8.548213439e+01 1.64 7.941861693e+01 1.66 7.377038933e+01 1.68 6.850825164e+01 1.70 6.360507318e+01 1.72 5.903561246e+01 1.74 5.477633168e+01 1.76 5.080529955e+01 1.78 4.710214518e+01 1.80 4.364800219e+01 1.82 4.042542109e+01 1.84 3.741830890e+01 1.86 3.461186767e+01 1.88 3.199254022e+01 1.90 2.954790230e+01 1.92 2.726650491e+01 1.94 2.513771921e+01 1.96 2.315161355e+01 1.98 2.129887865e+01 2.00 1.957078151e+01 2.02 1.795913121e+01 2.04 1.645624437e+01 2.06 1.505491679e+01 2.08 1.374840918e+01 2.10 1.253043810e+01 2.12 1.139517298e+01 2.14 1.033721949e+01 2.16 9.351589192e+00 2.18 8.433659677e+00 2.20 7.579129996e+00 2.22 6.783985653e+00 2.24 6.044471832e+00 2.26 5.357074732e+00 2.28 4.718507268e+00 2.30 4.125692455e+00 2.32 3.575743718e+00 2.34 3.065949124e+00 2.36 2.593748627e+00 2.38 2.156718216e+00 2.40 1.752558240e+00 2.42 1.379087324e+00 2.44 1.034241522e+00 2.46 7.160755046e-01 2.48 4.227641102e-01 2.50 1.526028296e-01 2.52 -9.599267698e-02 2.54 -3.244876627e-01 2.56 -5.342303969e-01 2.58 -7.266378813e-01 2.60 -9.030695367e-01 2.62 -1.064390567e+00 2.64 -1.211413752e+00 2.66 -1.344910770e+00 2.68 -1.465621971e+00 2.70 -1.574259616e+00 2.72 -1.671510104e+00 2.74 -1.758034807e+00 2.76 -1.834477334e+00 2.78 -1.901491963e+00 2.80 -1.959717721e+00 2.82 -2.009762489e+00 2.84 -2.052210956e+00 2.86 -2.087628432e+00 2.88 -2.116564465e+00 2.90 -2.139554202e+00 2.92 -2.157116589e+00 2.94 -2.169749353e+00 2.96 -2.177921856e+00 2.98 -2.182068001e+00 3.00 -2.182657178e+00 3.02 -2.180028611e+00 3.04 -2.174403796e+00 3.06 -2.165993876e+00 3.08 -2.154995678e+00 3.10 -2.141601308e+00 3.12 -2.125999132e+00 3.14 -2.108379978e+00 3.16 -2.088928303e+00 3.18 -2.067809104e+00 3.20 -2.045177424e+00 3.22 -2.021187521e+00 3.24 -1.995988052e+00 3.26 -1.969718120e+00 3.28 -1.942504644e+00 3.30 -1.914461335e+00 3.32 -1.885689107e+00 3.34 -1.856277508e+00 3.36 -1.826306634e+00 3.38 -1.795849044e+00 3.40 -1.764970868e+00 3.42 -1.733735044e+00 3.44 -1.702198750e+00 3.46 -1.670416081e+00 3.48 -1.638437577e+00 3.50 -1.606310282e+00 3.52 -1.574077842e+00 3.54 -1.541780730e+00 3.56 -1.509456678e+00 3.58 -1.477141330e+00 3.60 -1.444869126e+00 3.62 -1.412674335e+00 3.64 -1.380592146e+00 3.66 -1.348659646e+00 3.68 -1.316916494e+00 3.70 -1.285405116e+00 3.72 -1.254170271e+00 3.74 -1.223257979e+00 3.76 -1.192713912e+00 3.78 -1.162581477e+00 3.80 -1.132899935e+00 3.82 -1.103702846e+00 3.84 -1.075017122e+00 3.86 -1.046862753e+00 3.88 -1.019253182e+00 3.90 -9.921961654e-01 3.92 -9.656937954e-01 3.94 -9.397482217e-01 3.96 -9.143555255e-01 3.98 -8.895115930e-01 4.00 -8.652113665e-01 4.02 -8.414491994e-01 4.04 -8.182190232e-01 4.06 -7.955143807e-01 4.08 -7.733283762e-01 4.10 -7.516523042e-01 4.12 -7.304809133e-01 4.14 -7.098038832e-01 4.16 -6.896116906e-01 4.18 -6.698940069e-01 4.20 -6.506396963e-01 4.22 -6.318368394e-01 4.24 -6.134727794e-01 4.26 -5.955341855e-01 4.28 -5.780071282e-01 4.30 -5.608771619e-01 4.32 -5.441294127e-01 4.34 -5.277486669e-01 4.36 -5.117194619e-01 4.38 -4.960261808e-01 4.40 -4.806531530e-01 4.42 -4.655847686e-01 4.44 -4.508056140e-01 4.46 -4.363006362e-01 4.48 -4.220553478e-01 4.50 -4.080560782e-01 4.52 -3.942902795e-01 4.54 -3.807468870e-01 4.56 -3.674167299e-01 4.58 -3.542929777e-01 4.60 -3.413715997e-01 4.62 -3.286518012e-01 4.64 -3.161363908e-01 4.66 -3.038320260e-01 4.68 -2.917492793e-01 4.70 -2.799024747e-01 4.72 -2.683092575e-01 4.74 -2.569898833e-01 4.76 -2.459662473e-01 4.78 -2.352607069e-01 4.80 -2.248927432e-01 4.82 -2.148861541e-01 4.84 -2.052545825e-01 4.86 -1.960098025e-01 4.88 -1.871586262e-01 4.90 -1.787025912e-01 4.92 -1.706380033e-01 4.94 -1.629563010e-01 4.96 -1.556446775e-01 4.98 -1.486868846e-01 5.00 -1.420641345e-01 5.02 -1.357560179e-01 5.04 -1.297413936e-01 5.06 -1.239991926e-01 5.08 -1.185091096e-01 5.10 -1.132521701e-01 5.12 -1.082111682e-01 5.14 -1.033709697e-01 5.16 -9.871869448e-02 5.18 -9.424378034e-02 5.20 -8.993793831e-02 5.22 -8.579500631e-02 5.24 -8.181071400e-02 5.26 -7.798237301e-02 5.28 -7.430834597e-02 5.30 -7.078714498e-02 5.32 -6.741882418e-02 5.34 -6.420354806e-02 5.36 -6.114104388e-02 5.38 -5.823032781e-02 5.40 -5.546950820e-02 5.42 -5.285567277e-02 5.44 -5.038485812e-02 5.46 -4.805209330e-02 5.48 -4.585150328e-02 5.50 -4.377645572e-02 5.52 -4.181973355e-02 5.54 -3.997371723e-02 5.56 -3.823056310e-02 5.58 -3.658236785e-02 5.60 -3.502131225e-02 5.62 -3.353978096e-02 5.64 -3.213045756e-02 5.66 -3.078639616e-02 5.68 -2.950107222e-02 5.70 -2.826841595e-02 5.72 -2.708283195e-02 5.74 -2.593920865e-02 5.76 -2.483292080e-02 5.78 -2.375982781e-02 5.80 -2.271626874e-02 5.82 -2.169905789e-02 5.84 -2.070548025e-02 5.86 -1.973328704e-02 5.88 -1.878069141e-02 5.90 -1.784636324e-02 5.92 -1.692942195e-02 5.94 -1.602942558e-02 5.96 -1.514635465e-02 5.98 -1.428059047e-02 6.00 -1.343288249e-02