# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Ko-W-S-Lee-J-S-Kim-D-H--Ag-Cu-Sn # implementation = 2021--Ko-W-S--Ag-Cu-Sn--LAMMPS--ipr1 # composition = CuSn2 # 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 2026-06-16 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 4.699240279e+02 0.92 4.440847695e+02 0.94 4.195830532e+02 0.96 3.963521007e+02 0.98 3.743283966e+02 1.00 3.534515310e+02 1.02 3.336640495e+02 1.04 3.149113105e+02 1.06 2.971413492e+02 1.08 2.803047483e+02 1.10 2.643545146e+02 1.12 2.492459616e+02 1.14 2.349365978e+02 1.16 2.213860203e+02 1.18 2.085558137e+02 1.20 1.964094533e+02 1.22 1.849122135e+02 1.24 1.740310806e+02 1.26 1.637346694e+02 1.28 1.539931444e+02 1.30 1.447781439e+02 1.32 1.360627091e+02 1.34 1.278212153e+02 1.36 1.200293073e+02 1.38 1.126638376e+02 1.40 1.057028075e+02 1.42 9.912531127e+01 1.44 9.291148315e+01 1.46 8.704244638e+01 1.48 8.150026524e+01 1.50 7.626789913e+01 1.52 7.132915899e+01 1.54 6.666866578e+01 1.56 6.227181095e+01 1.58 5.812471894e+01 1.60 5.421421133e+01 1.62 5.052777282e+01 1.64 4.705351890e+01 1.66 4.378016492e+01 1.68 4.069699686e+01 1.70 3.779384333e+01 1.72 3.506104905e+01 1.74 3.248944952e+01 1.76 3.007034699e+01 1.78 2.779548749e+01 1.80 2.565703911e+01 1.82 2.364757116e+01 1.84 2.176003446e+01 1.86 1.998774256e+01 1.88 1.832435378e+01 1.90 1.676385423e+01 1.92 1.530054155e+01 1.94 1.392900952e+01 1.96 1.264413337e+01 1.98 1.144105575e+01 2.00 1.031517347e+01 2.02 9.262124824e+00 2.04 8.277777536e+00 2.06 7.358217277e+00 2.08 6.499736764e+00 2.10 5.698825357e+00 2.12 4.952159182e+00 2.14 4.256584801e+00 2.16 3.609054034e+00 2.18 3.006897270e+00 2.20 2.447392700e+00 2.22 1.928001475e+00 2.24 1.446337970e+00 2.26 1.000146319e+00 2.28 5.872937786e-01 2.30 2.057644187e-01 2.32 -1.463468831e-01 2.34 -4.708401476e-01 2.36 -7.694157220e-01 2.38 -1.043679445e+00 2.40 -1.295147547e+00 2.42 -1.525251321e+00 2.44 -1.735341555e+00 2.46 -1.926692741e+00 2.48 -2.100507087e+00 2.50 -2.257918319e+00 2.52 -2.399995295e+00 2.54 -2.527745446e+00 2.56 -2.642118032e+00 2.58 -2.744067902e+00 2.60 -2.834929010e+00 2.62 -2.914676883e+00 2.64 -2.983910411e+00 2.66 -3.043747500e+00 2.68 -3.094848029e+00 2.70 -3.137832390e+00 2.72 -3.173283643e+00 2.74 -3.201749558e+00 2.76 -3.223744548e+00 2.78 -3.239751514e+00 2.80 -3.250223580e+00 2.82 -3.255585749e+00 2.84 -3.256236469e+00 2.86 -3.252549116e+00 2.88 -3.244873401e+00 2.90 -3.233536704e+00 2.92 -3.218845336e+00 2.94 -3.201085734e+00 2.96 -3.180525593e+00 2.98 -3.157414941e+00 3.00 -3.131987152e+00 3.02 -3.104513050e+00 3.04 -3.075841933e+00 3.06 -3.046363831e+00 3.08 -3.013656241e+00 3.10 -2.979550664e+00 3.12 -2.944232382e+00 3.14 -2.907842146e+00 3.16 -2.870510431e+00 3.18 -2.832358053e+00 3.20 -2.793496741e+00 3.22 -2.754029688e+00 3.24 -2.714052060e+00 3.26 -2.673651488e+00 3.28 -2.632908520e+00 3.30 -2.591897057e+00 3.32 -2.550684756e+00 3.34 -2.509333418e+00 3.36 -2.467899345e+00 3.38 -2.426433682e+00 3.40 -2.384982737e+00 3.42 -2.343588280e+00 3.44 -2.302287832e+00 3.46 -2.261114926e+00 3.48 -2.220099363e+00 3.50 -2.179267443e+00 3.52 -2.138642195e+00 3.54 -2.098243581e+00 3.56 -2.058088695e+00 3.58 -2.018191954e+00 3.60 -1.978565272e+00 3.62 -1.939218227e+00 3.64 -1.900158225e+00 3.66 -1.861390651e+00 3.68 -1.822919016e+00 3.70 -1.784745101e+00 3.72 -1.746869095e+00 3.74 -1.709289733e+00 3.76 -1.672004430e+00 3.78 -1.635009420e+00 3.80 -1.598299892e+00 3.82 -1.561870134e+00 3.84 -1.525713685e+00 3.86 -1.489823482e+00 3.88 -1.454192035e+00 3.90 -1.418811601e+00 3.92 -1.383674375e+00 3.94 -1.348772697e+00 3.96 -1.314099284e+00 3.98 -1.279647468e+00 4.00 -1.245411472e+00 4.02 -1.211386695e+00 4.04 -1.177570029e+00 4.06 -1.143960198e+00 4.08 -1.110558109e+00 4.10 -1.077367234e+00 4.12 -1.044393989e+00 4.14 -1.011648133e+00 4.16 -9.791431456e-01 4.18 -9.468965968e-01 4.20 -9.149304738e-01 4.22 -8.832714562e-01 4.24 -8.519511125e-01 4.26 -8.199786958e-01 4.28 -7.663701151e-01 4.30 -6.328622437e-01 4.32 -4.480141970e-01 4.34 -4.101406417e-01 4.36 -3.999133471e-01 4.38 -3.900652688e-01 4.40 -3.805695826e-01 4.42 -3.714009394e-01 4.44 -3.625356247e-01 4.46 -3.539516662e-01 4.48 -3.456288941e-01 4.50 -3.375489556e-01 4.52 -3.296952893e-01 4.54 -3.220530646e-01 4.56 -3.146090923e-01 4.58 -3.073517126e-01 4.60 -3.002706675e-01 4.62 -2.933569634e-01 4.64 -2.866027295e-01 4.66 -2.800010778e-01 4.68 -2.735459673e-01 4.70 -2.672320782e-01 4.72 -2.610546959e-01 4.74 -2.550096080e-01 4.76 -2.490930148e-01 4.78 -2.433014523e-01 4.80 -2.376317286e-01 4.82 -2.320808711e-01 4.84 -2.266460853e-01 4.86 -2.213247213e-01 4.88 -2.161142484e-01 4.90 -2.110122366e-01 4.92 -2.055188962e-01 4.94 -1.933690505e-01 4.96 -1.587161078e-01 4.98 -8.368195774e-02 5.00 -6.339517322e-23 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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