# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuPd2 # 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 2022-05-24 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 8.418141625e+02 0.86 7.587081382e+02 0.88 6.846004778e+02 0.90 6.184393639e+02 0.92 5.593071891e+02 0.94 5.063984434e+02 0.96 4.590114968e+02 0.98 4.165218908e+02 1.00 3.783865609e+02 1.02 3.441171548e+02 1.04 3.132898448e+02 1.06 2.855305280e+02 1.08 2.605016330e+02 1.10 2.379100024e+02 1.12 2.174934812e+02 1.14 1.990171427e+02 1.16 1.822736781e+02 1.18 1.670828033e+02 1.20 1.532823748e+02 1.22 1.407258174e+02 1.24 1.292873731e+02 1.26 1.188526941e+02 1.28 1.093212021e+02 1.30 1.006009946e+02 1.32 9.261317817e+01 1.34 8.528674744e+01 1.36 7.855768255e+01 1.38 7.236820034e+01 1.40 6.666907665e+01 1.42 6.141437029e+01 1.44 5.656476769e+01 1.46 5.208353865e+01 1.48 4.793817600e+01 1.50 4.410004938e+01 1.52 4.054279748e+01 1.54 3.724217990e+01 1.56 3.417709456e+01 1.58 3.132855628e+01 1.60 2.867222096e+01 1.62 2.621410923e+01 1.64 2.393306563e+01 1.66 2.181633329e+01 1.68 1.985221335e+01 1.70 1.803013379e+01 1.72 1.634019935e+01 1.74 1.474866696e+01 1.76 1.327528841e+01 1.78 1.189343018e+01 1.80 1.059959142e+01 1.82 9.389688476e+00 1.84 8.259629582e+00 1.86 7.205580419e+00 1.88 6.223705187e+00 1.90 5.310260864e+00 1.92 4.462297544e+00 1.94 3.676530938e+00 1.96 2.949760288e+00 1.98 2.278418922e+00 2.00 1.659655114e+00 2.02 1.090768226e+00 2.04 5.689094144e-01 2.06 9.098224957e-02 2.08 -3.451540823e-01 2.10 -7.418913897e-01 2.12 -1.102150071e+00 2.14 -1.427716136e+00 2.16 -1.721509535e+00 2.18 -1.985463797e+00 2.20 -2.221567916e+00 2.22 -2.431746737e+00 2.24 -2.617824697e+00 2.26 -2.781528152e+00 2.28 -2.924400846e+00 2.30 -3.047746372e+00 2.32 -3.153639730e+00 2.34 -3.243167593e+00 2.36 -3.317606106e+00 2.38 -3.378151715e+00 2.40 -3.425308174e+00 2.42 -3.460664975e+00 2.44 -3.485323656e+00 2.46 -3.500205750e+00 2.48 -3.506171521e+00 2.50 -3.504023295e+00 2.52 -3.494508625e+00 2.54 -3.478323351e+00 2.56 -3.456114556e+00 2.58 -3.428450730e+00 2.60 -3.397371584e+00 2.62 -3.362310536e+00 2.64 -3.323171048e+00 2.66 -3.279979083e+00 2.68 -3.234052356e+00 2.70 -3.185426545e+00 2.72 -3.134452296e+00 2.74 -3.081443323e+00 2.76 -3.026824351e+00 2.78 -2.969771464e+00 2.80 -2.911012436e+00 2.82 -2.851359847e+00 2.84 -2.791023176e+00 2.86 -2.730195362e+00 2.88 -2.669050412e+00 2.90 -2.607746698e+00 2.92 -2.546428083e+00 2.94 -2.485224971e+00 2.96 -2.424255291e+00 2.98 -2.363625431e+00 3.00 -2.303431063e+00 3.02 -2.243760901e+00 3.04 -2.184968103e+00 3.06 -2.127204137e+00 3.08 -2.070130820e+00 3.10 -2.013808195e+00 3.12 -1.958284806e+00 3.14 -1.903602758e+00 3.16 -1.849798534e+00 3.18 -1.796903448e+00 3.20 -1.744943780e+00 3.22 -1.693941724e+00 3.24 -1.643905192e+00 3.26 -1.595730791e+00 3.28 -1.548820790e+00 3.30 -1.502833129e+00 3.32 -1.457762643e+00 3.34 -1.413561935e+00 3.36 -1.370193884e+00 3.38 -1.327718766e+00 3.40 -1.286151036e+00 3.42 -1.245422253e+00 3.44 -1.205458851e+00 3.46 -1.166312218e+00 3.48 -1.128079557e+00 3.50 -1.090833600e+00 3.52 -1.054583224e+00 3.54 -1.019293418e+00 3.56 -9.849408385e-01 3.58 -9.515065356e-01 3.60 -9.189704038e-01 3.62 -8.873120704e-01 3.64 -8.565213274e-01 3.66 -8.265891106e-01 3.68 -7.975037641e-01 3.70 -7.692505870e-01 3.72 -7.417642167e-01 3.74 -7.150286491e-01 3.76 -6.890609872e-01 3.78 -6.638652008e-01 3.80 -6.394415953e-01 3.82 -6.157914688e-01 3.84 -5.929125763e-01 3.86 -5.708183192e-01 3.88 -5.495388828e-01 3.90 -5.289563203e-01 3.92 -5.089683446e-01 3.94 -4.895284052e-01 3.96 -4.706017450e-01 3.98 -4.521628408e-01 4.00 -4.341933690e-01 4.02 -4.166805276e-01 4.04 -3.996156598e-01 4.06 -3.830053945e-01 4.08 -3.668723150e-01 4.10 -3.511586429e-01 4.12 -3.357861337e-01 4.14 -3.207558054e-01 4.16 -3.060791364e-01 4.18 -2.917651974e-01 4.20 -2.778209318e-01 4.22 -2.642513979e-01 4.24 -2.510599776e-01 4.26 -2.382485584e-01 4.28 -2.258176956e-01 4.30 -2.137667514e-01 4.32 -2.020937188e-01 4.34 -1.907751246e-01 4.36 -1.798133823e-01 4.38 -1.692255909e-01 4.40 -1.590228057e-01 4.42 -1.492110663e-01 4.44 -1.397922754e-01 4.46 -1.307649487e-01 4.48 -1.221248546e-01 4.50 -1.138655578e-01 4.52 -1.059788799e-01 4.54 -9.845528857e-02 4.56 -9.128422550e-02 4.58 -8.445633086e-02 4.60 -7.836485766e-02 4.62 -7.295959206e-02 4.64 -6.781039614e-02 4.66 -6.290775550e-02 4.68 -5.824209390e-02 4.70 -5.380385611e-02 4.72 -4.958357560e-02 4.74 -4.557192941e-02 4.76 -4.175978084e-02 4.78 -3.813821357e-02 4.80 -3.469855762e-02 4.82 -3.143240857e-02 4.84 -2.833164117e-02 4.86 -2.538841817e-02 4.88 -2.259519577e-02 4.90 -1.994472522e-02 4.92 -1.742971862e-02 4.94 -1.501282675e-02 4.96 -1.326629445e-02 4.98 -1.212200045e-02 5.00 -1.101577272e-02 5.02 -9.967835838e-03 5.04 -8.975378780e-03 5.06 -8.035568303e-03 5.08 -7.145703068e-03 5.10 -6.303209556e-03 5.12 -5.505637752e-03 5.14 -4.750656651e-03 5.16 -4.036049687e-03 5.18 -3.359710118e-03 5.20 -2.719636423e-03 5.22 -2.113927729e-03 5.24 -1.540779327e-03 5.26 -9.984782905e-04 5.28 -4.857139660e-04 5.30 -7.599789360e-16 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00