# 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 = AgSn2 # 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 6.455687139e+02 0.92 6.112131078e+02 0.94 5.785561638e+02 0.96 5.475195801e+02 0.98 5.180283750e+02 1.00 4.900107612e+02 1.02 4.633980256e+02 1.04 4.381244115e+02 1.06 4.141270052e+02 1.08 3.913456256e+02 1.10 3.697227180e+02 1.12 3.492032506e+02 1.14 3.297346153e+02 1.16 3.112665308e+02 1.18 2.937509496e+02 1.20 2.771419682e+02 1.22 2.613957400e+02 1.24 2.464703914e+02 1.26 2.323259412e+02 1.28 2.189242220e+02 1.30 2.062288056e+02 1.32 1.942049300e+02 1.34 1.828194295e+02 1.36 1.720406678e+02 1.38 1.618384729e+02 1.40 1.521840747e+02 1.42 1.430500449e+02 1.44 1.344102397e+02 1.46 1.262397437e+02 1.48 1.185148168e+02 1.50 1.112128431e+02 1.52 1.043122812e+02 1.54 9.779261690e+01 1.56 9.163431813e+01 1.58 8.581879090e+01 1.60 8.032833752e+01 1.62 7.514611647e+01 1.64 7.025610377e+01 1.66 6.564305603e+01 1.68 6.129247501e+01 1.70 5.719057364e+01 1.72 5.332424339e+01 1.74 4.968102320e+01 1.76 4.624906950e+01 1.78 4.301712760e+01 1.80 3.997450438e+01 1.82 3.711104198e+01 1.84 3.441709274e+01 1.86 3.188349524e+01 1.88 2.950155126e+01 1.90 2.726300391e+01 1.92 2.516001656e+01 1.94 2.318515282e+01 1.96 2.133135738e+01 1.98 1.959193763e+01 2.00 1.796054619e+01 2.02 1.643116422e+01 2.04 1.499808540e+01 2.06 1.365590073e+01 2.08 1.239948397e+01 2.10 1.122397775e+01 2.12 1.012478036e+01 2.14 9.097533063e+00 2.16 8.138108073e+00 2.18 7.242597065e+00 2.20 6.407300210e+00 2.22 5.628715724e+00 2.24 4.903529933e+00 2.26 4.228607769e+00 2.28 3.600983744e+00 2.30 3.017853341e+00 2.32 2.476564815e+00 2.34 1.974611386e+00 2.36 1.509623818e+00 2.38 1.079363329e+00 2.40 6.817148774e-01 2.42 3.146807478e-01 2.44 -2.362554273e-02 2.46 -3.349850332e-01 2.48 -6.210788370e-01 2.50 -8.834933795e-01 2.52 -1.123725378e+00 2.54 -1.343186583e+00 2.56 -1.543208272e+00 2.58 -1.725045526e+00 2.60 -1.889881300e+00 2.62 -2.038830270e+00 2.64 -2.172942504e+00 2.66 -2.293206941e+00 2.68 -2.400554691e+00 2.70 -2.495862174e+00 2.72 -2.579954091e+00 2.74 -2.653606253e+00 2.76 -2.717548254e+00 2.78 -2.772466013e+00 2.80 -2.819004185e+00 2.82 -2.857768445e+00 2.84 -2.889327651e+00 2.86 -2.914215901e+00 2.88 -2.932934474e+00 2.90 -2.945953678e+00 2.92 -2.953714593e+00 2.94 -2.956630725e+00 2.96 -2.955089575e+00 2.98 -2.949454118e+00 3.00 -2.940064213e+00 3.02 -2.927237925e+00 3.04 -2.911272789e+00 3.06 -2.892446994e+00 3.08 -2.871020512e+00 3.10 -2.847236164e+00 3.12 -2.821320621e+00 3.14 -2.793485361e+00 3.16 -2.763927566e+00 3.18 -2.732830972e+00 3.20 -2.700366672e+00 3.22 -2.666693878e+00 3.24 -2.631960632e+00 3.26 -2.596304488e+00 3.28 -2.559853148e+00 3.30 -2.522725063e+00 3.32 -2.485030008e+00 3.34 -2.446869613e+00 3.36 -2.408337873e+00 3.38 -2.369521623e+00 3.40 -2.330500990e+00 3.42 -2.291349817e+00 3.44 -2.252136063e+00 3.46 -2.212922179e+00 3.48 -2.173765463e+00 3.50 -2.134718397e+00 3.52 -2.095828956e+00 3.54 -2.057140910e+00 3.56 -2.018694101e+00 3.58 -1.980524702e+00 3.60 -1.942665468e+00 3.62 -1.905145965e+00 3.64 -1.867992788e+00 3.66 -1.831229769e+00 3.68 -1.794878164e+00 3.70 -1.758956838e+00 3.72 -1.723482433e+00 3.74 -1.688469527e+00 3.76 -1.653930782e+00 3.78 -1.619877087e+00 3.80 -1.586317689e+00 3.82 -1.553260311e+00 3.84 -1.520711274e+00 3.86 -1.488675601e+00 3.88 -1.457157118e+00 3.90 -1.426158552e+00 3.92 -1.395681613e+00 3.94 -1.365727084e+00 3.96 -1.336294894e+00 3.98 -1.307384189e+00 4.00 -1.278993404e+00 4.02 -1.251120322e+00 4.04 -1.223762133e+00 4.06 -1.196915492e+00 4.08 -1.170576565e+00 4.10 -1.144741079e+00 4.12 -1.119404367e+00 4.14 -1.094561408e+00 4.16 -1.070206863e+00 4.18 -1.046335115e+00 4.20 -1.022940298e+00 4.22 -1.000016329e+00 4.24 -9.775569349e-01 4.26 -9.548618662e-01 4.28 -9.177774861e-01 4.30 -8.247896322e-01 4.32 -6.452351723e-01 4.34 -5.734672579e-01 4.36 -5.604835781e-01 4.38 -5.477868946e-01 4.40 -5.353712760e-01 4.42 -5.232308655e-01 4.44 -5.113598846e-01 4.46 -4.997526366e-01 4.48 -4.884035093e-01 4.50 -4.773069778e-01 4.52 -4.664576062e-01 4.54 -4.558500496e-01 4.56 -4.454790551e-01 4.58 -4.353394632e-01 4.60 -4.254262080e-01 4.62 -4.157343183e-01 4.64 -4.062589174e-01 4.66 -3.969952232e-01 4.68 -3.879385480e-01 4.70 -3.790842983e-01 4.72 -3.704279742e-01 4.74 -3.619651686e-01 4.76 -3.536915664e-01 4.78 -3.456029440e-01 4.80 -3.376951678e-01 4.82 -3.299641934e-01 4.84 -3.224060641e-01 4.86 -3.150169103e-01 4.88 -3.077929475e-01 4.90 -3.007304752e-01 4.92 -2.930797486e-01 4.94 -2.754512876e-01 4.96 -2.244112712e-01 4.98 -1.156672817e-01 5.00 -8.653766570e-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