# 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 = Ag2Sn # 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 6.855955813e+02 0.92 6.438392848e+02 0.94 6.045338369e+02 0.96 5.675382624e+02 0.98 5.327196032e+02 1.00 4.999524647e+02 1.02 4.691185880e+02 1.04 4.401064462e+02 1.06 4.128108633e+02 1.08 3.871326557e+02 1.10 3.629782920e+02 1.12 3.402595743e+02 1.14 3.188933357e+02 1.16 2.988011559e+02 1.18 2.799090926e+02 1.20 2.621474276e+02 1.22 2.454504281e+02 1.24 2.297561204e+02 1.26 2.150060779e+02 1.28 2.011452190e+02 1.30 1.881216183e+02 1.32 1.758863273e+02 1.34 1.643932057e+02 1.36 1.535987621e+02 1.38 1.434620035e+02 1.40 1.339442937e+02 1.42 1.250092193e+02 1.44 1.166224634e+02 1.46 1.087516865e+02 1.48 1.013664140e+02 1.50 9.443793006e+01 1.52 8.793917774e+01 1.54 8.184466422e+01 1.56 7.613037182e+01 1.58 7.077367398e+01 1.60 6.575325578e+01 1.62 6.104903919e+01 1.64 5.664211243e+01 1.66 5.251466333e+01 1.68 4.864991644e+01 1.70 4.503207382e+01 1.72 4.164625896e+01 1.74 3.847846414e+01 1.76 3.551550055e+01 1.78 3.274495134e+01 1.80 3.015512735e+01 1.82 2.773502529e+01 1.84 2.547428829e+01 1.86 2.336316881e+01 1.88 2.139249343e+01 1.90 1.955362991e+01 1.92 1.783845589e+01 1.94 1.623932949e+01 1.96 1.474906160e+01 1.98 1.336088964e+01 2.00 1.206845293e+01 2.02 1.086576938e+01 2.04 9.747213583e+00 2.06 8.707496055e+00 2.08 7.741643784e+00 2.10 6.844981785e+00 2.12 6.013115770e+00 2.14 5.241915789e+00 2.16 4.527500801e+00 2.18 3.866224144e+00 2.20 3.254659826e+00 2.22 2.689589599e+00 2.24 2.167990794e+00 2.26 1.687024831e+00 2.28 1.244026402e+00 2.30 8.364932795e-01 2.32 4.620766952e-01 2.34 1.185722930e-01 2.36 -1.960884072e-01 2.38 -4.838460577e-01 2.40 -7.465210528e-01 2.42 -9.858206728e-01 2.44 -1.203345812e+00 2.46 -1.400597470e+00 2.48 -1.578991404e+00 2.50 -1.739846982e+00 2.52 -1.884360742e+00 2.54 -2.013719132e+00 2.56 -2.129005529e+00 2.58 -2.231234268e+00 2.60 -2.321354807e+00 2.62 -2.400255647e+00 2.64 -2.468768025e+00 2.66 -2.527669395e+00 2.68 -2.577686690e+00 2.70 -2.619499413e+00 2.72 -2.653742529e+00 2.74 -2.681009197e+00 2.76 -2.701853336e+00 2.78 -2.716792042e+00 2.80 -2.726307857e+00 2.82 -2.730850914e+00 2.84 -2.730840945e+00 2.86 -2.726669170e+00 2.88 -2.718700083e+00 2.90 -2.707273120e+00 2.92 -2.692704233e+00 2.94 -2.675287372e+00 2.96 -2.655295874e+00 2.98 -2.632983767e+00 3.00 -2.608587003e+00 3.02 -2.582187695e+00 3.04 -2.552175213e+00 3.06 -2.517708525e+00 3.08 -2.486783149e+00 3.10 -2.454847739e+00 3.12 -2.421947427e+00 3.14 -2.388218317e+00 3.16 -2.353786066e+00 3.18 -2.318766579e+00 3.20 -2.283266650e+00 3.22 -2.247384574e+00 3.24 -2.211210712e+00 3.26 -2.174828026e+00 3.28 -2.138312579e+00 3.30 -2.101734007e+00 3.32 -2.065155954e+00 3.34 -2.028636491e+00 3.36 -1.992228497e+00 3.38 -1.955980024e+00 3.40 -1.919934634e+00 3.42 -1.884131719e+00 3.44 -1.848606799e+00 3.46 -1.813391794e+00 3.48 -1.778515294e+00 3.50 -1.744002795e+00 3.52 -1.709876929e+00 3.54 -1.676157679e+00 3.56 -1.642862575e+00 3.58 -1.610006883e+00 3.60 -1.577603777e+00 3.62 -1.545664499e+00 3.64 -1.514198515e+00 3.66 -1.483213654e+00 3.68 -1.452716239e+00 3.70 -1.422711211e+00 3.72 -1.393202245e+00 3.74 -1.364191850e+00 3.76 -1.335681479e+00 3.78 -1.307671611e+00 3.80 -1.280161844e+00 3.82 -1.253150971e+00 3.84 -1.226637057e+00 3.86 -1.200617506e+00 3.88 -1.175089125e+00 3.90 -1.150048187e+00 3.92 -1.125490481e+00 3.94 -1.101411365e+00 3.96 -1.077805814e+00 3.98 -1.054668464e+00 4.00 -1.031993651e+00 4.02 -1.009775450e+00 4.04 -9.880077066e-01 4.06 -9.666840713e-01 4.08 -9.457980282e-01 4.10 -9.253429213e-01 4.12 -9.053119797e-01 4.14 -8.856983397e-01 4.16 -8.664950664e-01 4.18 -8.476951720e-01 4.20 -8.292916334e-01 4.22 -8.112774083e-01 4.24 -7.936454493e-01 4.26 -7.762921714e-01 4.28 -7.572878012e-01 4.30 -7.315824341e-01 4.32 -6.983801069e-01 4.34 -6.784851247e-01 4.36 -6.640741814e-01 4.38 -6.499655667e-01 4.40 -6.361533121e-01 4.42 -6.226315158e-01 4.44 -6.093943469e-01 4.46 -5.964360495e-01 4.48 -5.837509458e-01 4.50 -5.713334391e-01 4.52 -5.591780165e-01 4.54 -5.472792504e-01 4.56 -5.356318006e-01 4.58 -5.242304156e-01 4.60 -5.130699335e-01 4.62 -5.021452830e-01 4.64 -4.914514838e-01 4.66 -4.809836468e-01 4.68 -4.707369746e-01 4.70 -4.607067607e-01 4.72 -4.508883899e-01 4.74 -4.412773374e-01 4.76 -4.318691687e-01 4.78 -4.226595384e-01 4.80 -4.136441896e-01 4.82 -4.048189531e-01 4.84 -3.961797465e-01 4.86 -3.877225725e-01 4.88 -3.794435187e-01 4.90 -3.713387556e-01 4.92 -3.624996463e-01 4.94 -3.415100011e-01 4.96 -2.796181186e-01 4.98 -1.457570703e-01 5.00 -9.644726579e-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