# 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 = CuSn # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan 3.510978099e+02 3.510978099e+02 3.609609592e+02 3.609609592e+02 nan nan 0.80 nan nan nan nan 3.283818901e+02 3.283818901e+02 3.374348485e+02 3.374348485e+02 nan nan 0.82 nan nan nan nan 3.071259796e+02 3.071259796e+02 3.154329486e+02 3.154329486e+02 nan nan 0.84 nan nan nan nan 2.872339468e+02 2.872339468e+02 2.948541858e+02 2.948541858e+02 nan nan 0.86 nan nan nan nan 2.686161714e+02 2.686161714e+02 2.756043748e+02 2.756043748e+02 nan nan 0.88 nan nan nan nan 2.511890944e+02 2.511890944e+02 2.575957396e+02 2.575957396e+02 nan nan 0.90 4.578748264e+02 4.578748264e+02 nan nan 2.348747999e+02 2.348747999e+02 2.407464678e+02 2.407464678e+02 nan nan 0.92 4.294247280e+02 4.294247280e+02 nan nan 2.196006257e+02 2.196006257e+02 2.249802971e+02 2.249802971e+02 nan nan 0.94 4.026863021e+02 4.026863021e+02 nan nan 2.052988016e+02 2.052988016e+02 2.102261305e+02 2.102261305e+02 nan nan 0.96 3.775576851e+02 3.775576851e+02 nan nan 1.919061128e+02 1.919061128e+02 1.964176784e+02 1.964176784e+02 nan nan 0.98 3.539430259e+02 3.539430259e+02 4.832790684e+02 4.832790684e+02 1.793635865e+02 1.793635865e+02 1.834931265e+02 1.834931265e+02 nan nan 1.00 3.317521361e+02 3.317521361e+02 4.559458177e+02 4.559458177e+02 1.676162010e+02 1.676162010e+02 1.713948264e+02 1.713948264e+02 4.767323524e+02 4.767323524e+02 1.02 3.109001604e+02 3.109001604e+02 4.300730884e+02 4.300730884e+02 1.566126141e+02 1.566126141e+02 1.600690080e+02 1.600690080e+02 4.502033177e+02 4.502033177e+02 1.04 2.913072651e+02 2.913072651e+02 4.055857337e+02 4.055857337e+02 1.463049110e+02 1.463049110e+02 1.494655123e+02 1.494655123e+02 4.250770876e+02 4.250770876e+02 1.06 2.728983453e+02 2.728983453e+02 3.824123615e+02 3.824123615e+02 1.366483692e+02 1.366483692e+02 1.395375426e+02 1.395375426e+02 4.012816002e+02 4.012816002e+02 1.08 2.556027483e+02 2.556027483e+02 3.604851522e+02 3.604851522e+02 1.276012402e+02 1.276012402e+02 1.302414326e+02 1.302414326e+02 3.787484322e+02 3.787484322e+02 1.10 2.393540131e+02 2.393540131e+02 3.397396834e+02 3.397396834e+02 1.191245458e+02 1.191245458e+02 1.215364321e+02 1.215364321e+02 3.574126177e+02 3.574126177e+02 1.12 2.240896243e+02 2.240896243e+02 3.201147641e+02 3.201147641e+02 1.111818888e+02 1.111818888e+02 1.133845058e+02 1.133845058e+02 3.372124748e+02 3.372124748e+02 1.14 2.097507810e+02 2.097507810e+02 3.015522764e+02 3.015522764e+02 1.037392764e+02 1.037392764e+02 1.057501474e+02 1.057501474e+02 3.180894419e+02 3.180894419e+02 1.16 1.962821779e+02 1.962821779e+02 2.839970251e+02 2.839970251e+02 9.676495669e+01 9.676495669e+01 9.860020626e+01 9.860020626e+01 2.999879213e+02 2.999879213e+02 1.18 1.836318001e+02 1.836318001e+02 2.673965940e+02 2.673965940e+02 9.022926545e+01 9.022926545e+01 9.190372600e+01 9.190372600e+01 2.828551307e+02 2.828551307e+02 1.20 1.717507285e+02 1.717507285e+02 2.517012098e+02 2.517012098e+02 8.410448413e+01 8.410448413e+01 8.563179453e+01 8.563179453e+01 2.666409626e+02 2.666409626e+02 1.22 1.605929573e+02 1.605929573e+02 2.368636118e+02 2.368636118e+02 7.836470747e+01 7.836470747e+01 7.975740434e+01 7.975740434e+01 2.512978497e+02 2.512978497e+02 1.24 1.501152221e+02 1.501152221e+02 2.228389286e+02 2.228389286e+02 7.298572040e+01 7.298572040e+01 7.425532266e+01 7.425532266e+01 2.367806376e+02 2.367806376e+02 1.26 1.402768367e+02 1.402768367e+02 2.095845603e+02 2.095845603e+02 6.794488344e+01 6.794488344e+01 6.910197055e+01 6.910197055e+01 2.230464640e+02 2.230464640e+02 1.28 1.310395414e+02 1.310395414e+02 1.970600661e+02 1.970600661e+02 6.322102590e+01 6.322102590e+01 6.427531046e+01 6.427531046e+01 2.100546433e+02 2.100546433e+02 1.30 1.223673581e+02 1.223673581e+02 1.852270583e+02 1.852270583e+02 5.879434673e+01 5.879434673e+01 5.975474157e+01 5.975474157e+01 1.977665575e+02 1.977665575e+02 1.32 1.142264550e+02 1.142264550e+02 1.740491004e+02 1.740491004e+02 5.464632202e+01 5.464632202e+01 5.552100245e+01 5.552100245e+01 1.861455522e+02 1.861455522e+02 1.34 1.065850193e+02 1.065850193e+02 1.634916107e+02 1.634916107e+02 5.075961906e+01 5.075961906e+01 5.155608044e+01 5.155608044e+01 1.751568379e+02 1.751568379e+02 1.36 9.941313641e+01 9.941313641e+01 1.535217705e+02 1.535217705e+02 4.711801631e+01 4.711801631e+01 4.784312736e+01 4.784312736e+01 1.647673963e+02 1.647673963e+02 1.38 9.268267711e+01 9.268267711e+01 1.441084365e+02 1.441084365e+02 4.370632888e+01 4.370632888e+01 4.436638110e+01 4.436638110e+01 1.549458911e+02 1.549458911e+02 1.40 8.636719107e+01 8.636719107e+01 1.352220577e+02 1.352220577e+02 4.051033924e+01 4.051033924e+01 4.111109259e+01 4.111109259e+01 1.456625835e+02 1.456625835e+02 1.42 8.044180657e+01 8.044180657e+01 1.268345964e+02 1.268345964e+02 3.751673270e+01 3.751673270e+01 3.806345789e+01 3.806345789e+01 1.368892519e+02 1.368892519e+02 1.44 7.488313619e+01 7.488313619e+01 1.189194525e+02 1.189194525e+02 3.471303736e+01 3.471303736e+01 3.521055499e+01 3.521055499e+01 1.285991152e+02 1.285991152e+02 1.46 6.966918813e+01 6.966918813e+01 1.114513923e+02 1.114513923e+02 3.208756820e+01 3.208756820e+01 3.254028494e+01 3.254028494e+01 1.207667606e+02 1.207667606e+02 1.48 6.477928273e+01 6.477928273e+01 1.044064804e+02 1.044064804e+02 2.962937508e+01 2.962937508e+01 3.004131716e+01 3.004131716e+01 1.133680747e+02 1.133680747e+02 1.50 6.019397395e+01 6.019397395e+01 9.776201440e+01 9.776201440e+01 2.732819426e+01 2.732819426e+01 2.770303840e+01 2.770303840e+01 1.063801777e+02 1.063801777e+02 1.52 5.589497562e+01 5.589497562e+01 9.149646354e+01 9.149646354e+01 2.517440334e+01 2.517440334e+01 2.551550531e+01 2.551550531e+01 9.978136171e+01 9.978136171e+01 1.54 5.186509194e+01 5.186509194e+01 8.558941012e+01 8.558941012e+01 2.315897924e+01 2.315897924e+01 2.346940031e+01 2.346940031e+01 9.355103134e+01 9.355103134e+01 1.56 4.808815223e+01 4.808815223e+01 8.002149358e+01 8.002149358e+01 2.127345910e+01 2.127345910e+01 2.155599037e+01 2.155599037e+01 8.766964785e+01 8.766964785e+01 1.58 4.454894957e+01 4.454894957e+01 7.477435753e+01 7.477435753e+01 1.950990385e+01 1.950990385e+01 1.976708879e+01 1.976708879e+01 8.211867581e+01 8.211867581e+01 1.60 4.123318309e+01 4.123318309e+01 6.983059923e+01 6.983059923e+01 1.786086429e+01 1.786086429e+01 1.809501949e+01 1.809501949e+01 7.688053250e+01 7.688053250e+01 1.62 3.812740372e+01 3.812740372e+01 6.517372164e+01 6.517372164e+01 1.631934948e+01 1.631934948e+01 1.653258375e+01 1.653258375e+01 7.193853985e+01 7.193853985e+01 1.64 3.521896326e+01 3.521896326e+01 6.078808781e+01 6.078808781e+01 1.487879726e+01 1.487879726e+01 1.507302931e+01 1.507302931e+01 6.727687887e+01 6.727687887e+01 1.66 3.249596638e+01 3.249596638e+01 5.665887746e+01 5.665887746e+01 1.353304679e+01 1.353304679e+01 1.371002145e+01 1.371002145e+01 6.288054617e+01 6.288054617e+01 1.68 2.994722565e+01 2.994722565e+01 5.277204575e+01 5.277204575e+01 1.227631299e+01 1.227631299e+01 1.243761617e+01 1.243761617e+01 5.873531289e+01 5.873531289e+01 1.70 2.756221919e+01 2.756221919e+01 4.911428405e+01 4.911428405e+01 1.110316266e+01 1.110316266e+01 1.125023507e+01 1.125023507e+01 5.482768556e+01 5.482768556e+01 1.72 2.533105088e+01 2.533105088e+01 4.567298265e+01 4.567298265e+01 1.000849216e+01 1.000849216e+01 1.014264204e+01 1.014264204e+01 5.114486890e+01 5.114486890e+01 1.74 2.324441298e+01 2.324441298e+01 4.243619531e+01 4.243619531e+01 8.987506713e+00 8.987506713e+00 9.109921375e+00 9.109921375e+00 4.767473059e+01 4.767473059e+01 1.76 2.129355105e+01 2.129355105e+01 3.939260553e+01 3.939260553e+01 8.035701007e+00 8.035701007e+00 8.147457558e+00 8.147457558e+00 4.440576772e+01 4.440576772e+01 1.78 1.947023084e+01 1.947023084e+01 3.653149455e+01 3.653149455e+01 7.148841087e+00 7.148841087e+00 7.250916212e+00 7.250916212e+00 4.132707491e+01 4.132707491e+01 1.80 1.776670737e+01 1.776670737e+01 3.384271088e+01 3.384271088e+01 6.322947494e+00 6.322947494e+00 6.416226436e+00 6.416226436e+00 3.842831413e+01 3.842831413e+01 1.82 1.617569571e+01 1.617569571e+01 3.131664137e+01 3.131664137e+01 5.554279471e+00 5.554279471e+00 5.639564278e+00 5.639564278e+00 3.569968592e+01 3.569968592e+01 1.84 1.469034362e+01 1.469034362e+01 2.894418365e+01 2.894418365e+01 4.839320239e+00 4.839320239e+00 4.917337300e+00 4.917337300e+00 3.313190209e+01 3.313190209e+01 1.86 1.330420576e+01 1.330420576e+01 2.671672005e+01 2.671672005e+01 4.174763233e+00 4.174763233e+00 4.246170183e+00 4.246170183e+00 3.071615982e+01 3.071615982e+01 1.88 1.201121958e+01 1.201121958e+01 2.462609273e+01 2.462609273e+01 3.557499218e+00 3.557499218e+00 3.622891256e+00 3.622891256e+00 2.844411698e+01 2.844411698e+01 1.90 1.080568247e+01 1.080568247e+01 2.266458002e+01 2.266458002e+01 2.984604265e+00 2.984604265e+00 3.044519921e+00 3.044519921e+00 2.630786877e+01 2.630786877e+01 1.92 9.682230491e+00 9.682230491e+00 2.082487409e+01 2.082487409e+01 2.453328492e+00 2.453328492e+00 2.508254898e+00 2.508254898e+00 2.429992549e+01 2.429992549e+01 1.94 8.635818240e+00 8.635818240e+00 1.910005951e+01 1.910005951e+01 1.961085523e+00 1.961085523e+00 2.011463226e+00 2.011463226e+00 2.241319138e+01 2.241319138e+01 1.96 7.661699982e+00 7.661699982e+00 1.748359311e+01 1.748359311e+01 1.505442642e+00 1.505442642e+00 1.551669981e+00 1.551669981e+00 2.064094461e+01 2.064094461e+01 1.98 6.755411908e+00 6.755411908e+00 1.596928466e+01 1.596928466e+01 1.084111552e+00 1.084111552e+00 1.126548661e+00 1.126548661e+00 1.897681817e+01 1.897681817e+01 2.00 5.912755452e+00 5.912755452e+00 1.455127864e+01 1.455127864e+01 6.949397303e-01 6.949397303e-01 7.339121722e-01 7.339121722e-01 1.741478182e+01 1.741478182e+01 2.02 5.129781622e+00 5.129781622e+00 1.322403684e+01 1.322403684e+01 3.359023358e-01 3.359023358e-01 3.717044080e-01 3.717044080e-01 1.594912483e+01 1.594912483e+01 2.04 4.402776250e+00 4.402776250e+00 1.198232192e+01 1.198232192e+01 5.094607408e-03 5.094607408e-03 3.799235179e-02 3.799235179e-02 1.457443969e+01 1.457443969e+01 2.06 3.728246132e+00 3.728246132e+00 1.082118169e+01 1.082118169e+01 -2.992752505e-01 -2.992752505e-01 -2.690413208e-01 -2.690413208e-01 1.328560655e+01 1.328560655e+01 2.08 3.102906011e+00 3.102906011e+00 9.735934303e+00 9.735934303e+00 -5.788927403e-01 -5.788927403e-01 -5.511051658e-01 -5.511051658e-01 1.207777852e+01 1.207777852e+01 2.10 2.523666306e+00 2.523666306e+00 8.722154051e+00 8.722154051e+00 -8.353433420e-01 -8.353433420e-01 -8.098054688e-01 -8.098054688e-01 1.094636762e+01 1.094636762e+01 2.12 1.987621603e+00 1.987621603e+00 7.775658022e+00 7.775658022e+00 -1.070118386e+00 -1.070118386e+00 -1.046660484e+00 -1.046660484e+00 9.887031477e+00 9.887031477e+00 2.14 1.492039814e+00 1.492039814e+00 6.892493335e+00 6.892493335e+00 -1.284812636e+00 -1.284812636e+00 -1.263308719e+00 -1.263308719e+00 8.895660729e+00 8.895660729e+00 2.16 1.034351980e+00 1.034351980e+00 6.068925048e+00 6.068925048e+00 -1.482695020e+00 -1.482695020e+00 -1.462309498e+00 -1.462309498e+00 7.968366968e+00 7.968366968e+00 2.18 6.121426945e-01 6.121426945e-01 5.301424696e+00 5.301424696e+00 -1.660879375e+00 -1.660879375e+00 -1.641778033e+00 -1.641778033e+00 7.101471369e+00 7.101471369e+00 2.20 2.231410735e-01 2.231410735e-01 4.586659381e+00 4.586659381e+00 -1.822064967e+00 -1.822064967e+00 -1.804393025e+00 -1.804393025e+00 6.291493843e+00 6.291493843e+00 2.22 -1.347879938e-01 -1.347879938e-01 3.921481439e+00 3.921481439e+00 -1.967806646e+00 -1.967806646e+00 -1.951463782e+00 -1.951463782e+00 5.535142753e+00 5.535142753e+00 2.24 -4.636512904e-01 -4.636512904e-01 3.302918628e+00 3.302918628e+00 -2.099135346e+00 -2.099135346e+00 -2.084030853e+00 -2.084030853e+00 4.829305148e+00 4.829305148e+00 2.26 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