# 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 = MoPb2 # 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 5.124695087e+02 1.16 4.769547114e+02 1.18 4.441375291e+02 1.20 4.137912692e+02 1.22 3.856991933e+02 1.24 3.596576822e+02 1.26 3.354814433e+02 1.28 3.130064911e+02 1.30 2.920899639e+02 1.32 2.726081422e+02 1.34 2.544538399e+02 1.36 2.375333960e+02 1.38 2.217629823e+02 1.40 2.070647477e+02 1.42 1.933639267e+02 1.44 1.805876086e+02 1.46 1.686650750e+02 1.48 1.575290362e+02 1.50 1.471169911e+02 1.52 1.373721084e+02 1.54 1.282434789e+02 1.56 1.196857154e+02 1.58 1.116581928e+02 1.60 1.041241208e+02 1.62 9.705136566e+01 1.64 9.041056153e+01 1.66 8.418379540e+01 1.68 7.835347871e+01 1.70 7.289317367e+01 1.72 6.777918330e+01 1.74 6.299064280e+01 1.76 5.850940953e+01 1.78 5.431963204e+01 1.80 5.040701004e+01 1.82 4.675794304e+01 1.84 4.335881096e+01 1.86 4.019555890e+01 1.88 3.725365744e+01 1.90 3.451832957e+01 1.92 3.197489857e+01 1.94 2.960916243e+01 1.96 2.740766673e+01 1.98 2.535786786e+01 2.00 2.344817735e+01 2.02 2.166792524e+01 2.04 2.000727792e+01 2.06 1.845715008e+01 2.08 1.700913879e+01 2.10 1.565547868e+01 2.12 1.438903340e+01 2.14 1.320329227e+01 2.16 1.209236908e+01 2.18 1.105098732e+01 2.20 1.007443992e+01 2.22 9.158533763e+00 2.24 8.299520347e+00 2.26 7.494024091e+00 2.28 6.738976819e+00 2.30 6.031556670e+00 2.32 5.369134781e+00 2.34 4.749243987e+00 2.36 4.169683366e+00 2.38 3.628159355e+00 2.40 3.122354589e+00 2.42 2.650068099e+00 2.44 2.209212965e+00 2.46 1.797822491e+00 2.48 1.414057715e+00 2.50 1.056211167e+00 2.52 7.227080443e-01 2.54 4.122036061e-01 2.56 1.235489914e-01 2.58 -1.443546268e-01 2.60 -3.925674442e-01 2.62 -6.221143053e-01 2.64 -8.339923316e-01 2.66 -1.029167212e+00 2.68 -1.208578963e+00 2.70 -1.373140304e+00 2.72 -1.523734878e+00 2.74 -1.661214423e+00 2.76 -1.786395372e+00 2.78 -1.900054862e+00 2.80 -2.002929360e+00 2.82 -2.095708795e+00 2.84 -2.179036590e+00 2.86 -2.253507754e+00 2.88 -2.319668447e+00 2.90 -2.378016501e+00 2.92 -2.429002960e+00 2.94 -2.473034675e+00 2.96 -2.510477943e+00 2.98 -2.541663111e+00 3.00 -2.566889966e+00 3.02 -2.586433610e+00 3.04 -2.600549509e+00 3.06 -2.609483017e+00 3.08 -2.613468179e+00 3.10 -2.612736016e+00 3.12 -2.607545290e+00 3.14 -2.598211743e+00 3.16 -2.584853331e+00 3.18 -2.567584854e+00 3.20 -2.546532817e+00 3.22 -2.521828837e+00 3.24 -2.493604246e+00 3.26 -2.461983692e+00 3.28 -2.427044676e+00 3.30 -2.388836916e+00 3.32 -2.347426257e+00 3.34 -2.302905369e+00 3.36 -2.255404725e+00 3.38 -2.205102597e+00 3.40 -2.152231771e+00 3.42 -2.097084428e+00 3.44 -2.040006616e+00 3.46 -1.981392601e+00 3.48 -1.921671469e+00 3.50 -1.861290653e+00 3.52 -1.800697623e+00 3.54 -1.740321790e+00 3.56 -1.680558576e+00 3.58 -1.621757152e+00 3.60 -1.564212717e+00 3.62 -1.508163465e+00 3.64 -1.453791761e+00 3.66 -1.401228569e+00 3.68 -1.350559920e+00 3.70 -1.301834209e+00 3.72 -1.255069270e+00 3.74 -1.210258529e+00 3.76 -1.167375877e+00 3.78 -1.126379326e+00 3.80 -1.087213712e+00 3.82 -1.049812874e+00 3.84 -1.014101669e+00 3.86 -9.799980890e-01 3.88 -9.474155289e-01 3.90 -9.162651359e-01 3.92 -8.864568569e-01 3.94 -8.579066106e-01 3.96 -8.305298227e-01 3.98 -8.042483293e-01 4.00 -7.789896142e-01 4.02 -7.546871607e-01 4.04 -7.312804773e-01 4.06 -7.087148838e-01 4.08 -6.869411377e-01 4.10 -6.659131912e-01 4.12 -6.455951179e-01 4.14 -6.259489121e-01 4.16 -6.069422170e-01 4.18 -5.885457043e-01 4.20 -5.707326737e-01 4.22 -5.534786995e-01 4.24 -5.367613229e-01 4.26 -5.205597858e-01 4.28 -5.048548040e-01 4.30 -4.896283724e-01 4.32 -4.748636004e-01 4.34 -4.605445719e-01 4.36 -4.466562262e-01 4.38 -4.331842569e-01 4.40 -4.201150262e-01 4.42 -4.074354911e-01 4.44 -3.951331404e-01 4.46 -3.831959405e-01 4.48 -3.716122881e-01 4.50 -3.603709689e-01 4.52 -3.494611217e-01 4.54 -3.388722059e-01 4.56 -3.285939725e-01 4.58 -3.186164387e-01 4.60 -3.089298636e-01 4.62 -2.995247265e-01 4.64 -2.903917074e-01 4.66 -2.815216680e-01 4.68 -2.729056350e-01 4.70 -2.645347845e-01 4.72 -2.564004284e-01 4.74 -2.484940018e-01 4.76 -2.408070537e-01 4.78 -2.333312387e-01 4.80 -2.260562376e-01 4.82 -2.189783893e-01 4.84 -2.120871947e-01 4.86 -2.053747384e-01 4.88 -1.988332324e-01 4.90 -1.924550391e-01 4.92 -1.862327048e-01 4.94 -1.801590015e-01 4.96 -1.742269804e-01 4.98 -1.684300366e-01 5.00 -1.627619854e-01 5.02 -1.572171502e-01 5.04 -1.517904594e-01 5.06 -1.464775512e-01 5.08 -1.412748771e-01 5.10 -1.361798029e-01 5.12 -1.311906969e-01 5.14 -1.263069962e-01 5.16 -1.215292400e-01 5.18 -1.168590607e-01 5.20 -1.122991234e-01 5.22 -1.078530076e-01 5.24 -1.035250297e-01 5.26 -9.931988826e-02 5.28 -9.524191419e-02 5.30 -9.129625631e-02 5.32 -8.748779711e-02 5.34 -8.382066172e-02 5.36 -8.029795052e-02 5.38 -7.692153082e-02 5.40 -7.369190109e-02 5.42 -7.060813402e-02 5.44 -6.766789672e-02 5.46 -6.486753953e-02 5.48 -6.220223991e-02 5.50 -5.966618499e-02 5.52 -5.725277569e-02 5.54 -5.495483688e-02 5.56 -5.276482033e-02 5.58 -5.067499088e-02 5.60 -4.867758961e-02 5.62 -4.676497104e-02 5.64 -4.492971394e-02 5.66 -4.316470761e-02 5.68 -4.146321640e-02 5.70 -3.981892630e-02 5.72 -3.822597744e-02 5.74 -3.667898637e-02 5.76 -3.517306119e-02 5.78 -3.370381258e-02 5.80 -3.226736391e-02 5.82 -3.086035930e-02 5.84 -2.947997226e-02 5.86 -2.812391442e-02 5.88 -2.679044350e-02 5.90 -2.547836930e-02 5.92 -2.418705559e-02 5.94 -2.291641600e-02 5.96 -2.166690122e-02 5.98 -2.043947305e-02 6.00 -1.923556862e-02