# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCu # 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 2026-08-31 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 3.624256366e+06 3.624256366e+06 3.616630027e+06 3.616630027e+06 nan nan 0.70 nan nan nan nan 3.193078617e+06 3.193078617e+06 3.186134479e+06 3.186134479e+06 nan nan 0.72 nan nan nan nan 2.808931084e+06 2.808931084e+06 2.802645284e+06 2.802645284e+06 nan nan 0.74 nan nan nan nan 2.465665364e+06 2.465665364e+06 2.459949531e+06 2.459949531e+06 nan nan 0.76 nan nan nan nan 2.158039348e+06 2.158039348e+06 2.152801807e+06 2.152801807e+06 nan nan 0.78 3.712986620e+06 3.712986620e+06 nan nan 1.881548148e+06 1.881548148e+06 1.876755962e+06 1.876755962e+06 nan nan 0.80 3.326364847e+06 3.326364847e+06 nan nan 1.632437427e+06 1.632437427e+06 1.628048420e+06 1.628048420e+06 nan nan 0.82 2.976843518e+06 2.976843518e+06 nan nan 1.407416485e+06 1.407416485e+06 1.403442986e+06 1.403442986e+06 nan nan 0.84 2.660159604e+06 2.660159604e+06 nan nan 1.203723951e+06 1.203723951e+06 1.200088059e+06 1.200088059e+06 nan nan 0.86 2.372607335e+06 2.372607335e+06 3.544355233e+06 3.544355233e+06 1.018912585e+06 1.018912585e+06 1.015559128e+06 1.015559128e+06 nan nan 0.88 2.110929388e+06 2.110929388e+06 3.202940304e+06 3.202940304e+06 8.508425609e+05 8.508425609e+05 8.477736034e+05 8.477736034e+05 3.452507316e+06 3.452507316e+06 0.90 1.872291074e+06 1.872291074e+06 2.891465061e+06 2.891465061e+06 6.976957606e+05 6.976957606e+05 6.948908683e+05 6.948908683e+05 3.124522507e+06 3.124522507e+06 0.92 1.654297475e+06 1.654297475e+06 2.606796698e+06 2.606796698e+06 5.578873154e+05 5.578873154e+05 5.553178330e+05 5.553178330e+05 2.824748254e+06 2.824748254e+06 0.94 1.454774683e+06 1.454774683e+06 2.346135706e+06 2.346135706e+06 4.300412169e+05 4.300412169e+05 4.276695905e+05 4.276695905e+05 2.550242273e+06 2.550242273e+06 0.96 1.271799539e+06 1.271799539e+06 2.107068963e+06 2.107068963e+06 3.207755380e+05 3.207755380e+05 3.189190244e+05 3.189190244e+05 2.298428559e+06 2.298428559e+06 0.98 1.103728733e+06 1.103728733e+06 1.887343182e+06 1.887343182e+06 2.398837341e+05 2.398837341e+05 2.384966262e+05 2.384966262e+05 2.067007248e+06 2.067007248e+06 1.00 9.490656839e+05 9.490656839e+05 1.685081130e+06 1.685081130e+06 1.800246393e+05 1.800246393e+05 1.789921647e+05 1.789921647e+05 1.853967408e+06 1.853967408e+06 1.02 8.065182654e+05 8.065182654e+05 1.498578080e+06 1.498578080e+06 1.355461395e+05 1.355461395e+05 1.347814011e+05 1.347814011e+05 1.657535462e+06 1.657535462e+06 1.04 6.749731681e+05 6.749731681e+05 1.326371464e+06 1.326371464e+06 1.023699142e+05 1.023699142e+05 1.018063174e+05 1.018063174e+05 1.476146415e+06 1.476146415e+06 1.06 5.534217362e+05 5.534217362e+05 1.167168321e+06 1.167168321e+06 7.753845494e+04 7.753845494e+04 7.712635578e+04 7.712635578e+04 1.308424029e+06 1.308424029e+06 1.08 4.409674428e+05 4.409674428e+05 1.019776278e+06 1.019776278e+06 5.889161680e+04 5.889161680e+04 5.859278956e+04 5.859278956e+04 1.153125216e+06 1.153125216e+06 1.10 3.411899370e+05 3.411899370e+05 8.831326531e+05 8.831326531e+05 4.484587435e+04 4.484587435e+04 4.462730733e+04 4.462730733e+04 1.009148254e+06 1.009148254e+06 1.12 2.640586367e+05 2.640586367e+05 7.563244045e+05 7.563244045e+05 3.423467308e+04 3.423467308e+04 3.407141415e+04 3.407141415e+04 8.754858718e+05 8.754858718e+05 1.14 2.048861536e+05 2.048861536e+05 6.384988054e+05 6.384988054e+05 2.619504458e+04 2.619504458e+04 2.606901377e+04 2.606901377e+04 7.512362961e+05 7.512362961e+05 1.16 1.593579321e+05 1.593579321e+05 5.288481900e+05 5.288481900e+05 2.008499710e+04 2.008499710e+04 1.998630394e+04 1.998630394e+04 6.356042440e+05 6.356042440e+05 1.18 1.242271523e+05 1.242271523e+05 4.266853211e+05 4.266853211e+05 1.542770851e+04 1.542770851e+04 1.535127071e+04 1.535127071e+04 5.278778192e+05 5.278778192e+05 1.20 9.704953666e+04 9.704953666e+04 3.364765474e+05 3.364765474e+05 1.187038566e+04 1.187038566e+04 1.181192810e+04 1.181192810e+04 4.274077300e+05 4.274077300e+05 1.22 7.597158457e+04 7.597158457e+04 2.656934602e+05 2.656934602e+05 9.147956928e+03 9.147956928e+03 9.103447489e+03 9.103447489e+03 3.383814736e+05 3.383814736e+05 1.24 5.957787802e+04 5.957787802e+04 2.102282963e+05 2.102282963e+05 7.059940417e+03 7.059940417e+03 7.026296374e+03 7.026296374e+03 2.682380074e+05 2.682380074e+05 1.26 4.679980982e+04 4.679980982e+04 1.666703575e+05 1.666703575e+05 5.455901035e+03 5.455901035e+03 5.430530146e+03 5.430530146e+03 2.130750078e+05 2.130750078e+05 1.28 3.682034397e+04 3.682034397e+04 1.323910897e+05 1.323910897e+05 4.221805584e+03 4.221805584e+03 4.202620992e+03 4.202620992e+03 1.695820687e+05 1.695820687e+05 1.30 2.901221808e+04 2.901221808e+04 1.053537859e+05 1.053537859e+05 3.270844909e+03 3.270844909e+03 3.256173277e+03 3.256173277e+03 1.352171633e+05 1.352171633e+05 1.32 2.289260072e+04 2.289260072e+04 8.398251847e+04 8.398251847e+04 2.536945092e+03 2.536945092e+03 2.525567556e+03 2.525567556e+03 1.080094635e+05 1.080094635e+05 1.34 1.808833700e+04 1.808833700e+04 6.704897004e+04 6.704897004e+04 1.969432913e+03 1.969432913e+03 1.960769102e+03 1.960769102e+03 8.642160000e+04 8.642160000e+04 1.36 1.430859915e+04 1.430859915e+04 5.360818039e+04 5.360818039e+04 1.530146834e+03 1.530146834e+03 1.523662961e+03 1.523662961e+03 6.925268641e+04 6.925268641e+04 1.38 1.133063493e+04 1.133063493e+04 4.292025171e+04 4.292025171e+04 1.189792088e+03 1.189792088e+03 1.184983673e+03 1.184983673e+03 5.557199570e+04 5.557199570e+04 1.40 8.980534999e+03 8.980534999e+03 3.440572893e+04 3.440572893e+04 9.257880765e+02 9.257880765e+02 9.222726779e+02 9.222726779e+02 4.465189356e+04 4.465189356e+04 1.42 7.123425346e+03 7.123425346e+03 2.761334526e+04 2.761334526e+04 7.208833804e+02 7.208833804e+02 7.183468012e+02 7.183468012e+02 3.592115469e+04 3.592115469e+04 1.44 5.654461878e+03 5.654461878e+03 2.218743771e+04 2.218743771e+04 5.617440739e+02 5.617440739e+02 5.599302980e+02 5.599302980e+02 2.892920650e+04 2.892920650e+04 1.46 4.491457022e+03 4.491457022e+03 1.784694664e+04 1.784694664e+04 4.380870342e+02 4.380870342e+02 4.367976176e+02 4.367976176e+02 2.332205323e+04 2.332205323e+04 1.48 3.569926971e+03 3.569926971e+03 1.436846227e+04 1.436846227e+04 3.419039404e+02 3.419039404e+02 3.409789505e+02 3.409789505e+02 1.881993273e+04 1.881993273e+04 1.50 2.839198410e+03 2.839198410e+03 1.157634370e+04 1.157634370e+04 2.670345888e+02 2.670345888e+02 2.663689502e+02 2.663689502e+02 1.520079660e+04 1.520079660e+04 1.52 2.259118592e+03 2.259118592e+03 9.332851500e+03 9.332851500e+03 2.087336598e+02 2.087336598e+02 2.082563747e+02 2.082563747e+02 1.228758110e+04 1.228758110e+04 1.54 1.797926434e+03 1.797926434e+03 7.528677416e+03 7.528677416e+03 1.633178433e+02 1.633178433e+02 1.629708022e+02 1.629708022e+02 9.939728229e+03 9.939728229e+03 1.56 1.431109493e+03 1.431109493e+03 6.076471881e+03 6.076471881e+03 1.279152315e+02 1.279152315e+02 1.276589250e+02 1.276589250e+02 8.045710199e+03 8.045710199e+03 1.58 1.139249374e+03 1.139249374e+03 4.906543993e+03 4.906543993e+03 1.002962545e+02 1.002962545e+02 1.001085325e+02 1.001085325e+02 6.516457906e+03 6.516457906e+03 1.60 9.068875257e+02 9.068875257e+02 3.963472890e+03 3.963472890e+03 7.874182293e+01 7.874182293e+01 7.860385289e+01 7.860385289e+01 5.280648348e+03 5.280648348e+03 1.62 7.218570261e+02 7.218570261e+02 3.202861617e+03 3.202861617e+03 6.191176856e+01 6.191176856e+01 6.180469329e+01 6.180469329e+01 4.280976041e+03 4.280976041e+03 1.64 5.745062963e+02 5.745062963e+02 2.589054634e+03 2.589054634e+03 4.876101318e+01 4.876101318e+01 4.867227983e+01 4.867227983e+01 3.471580081e+03 3.471580081e+03 1.66 4.571479907e+02 4.571479907e+02 2.093310944e+03 2.093310944e+03 3.847450591e+01 3.847450591e+01 3.839664377e+01 3.839664377e+01 2.815902023e+03 2.815902023e+03 1.68 3.636346041e+02 3.636346041e+02 1.692497302e+03 1.692497302e+03 3.041265731e+01 3.041265731e+01 3.034311938e+01 3.034311938e+01 2.284419136e+03 2.284419136e+03 1.70 2.890971727e+02 2.890971727e+02 1.368229158e+03 1.368229158e+03 2.408155754e+01 2.408155754e+01 2.401997305e+01 2.401997305e+01 1.853394484e+03 1.853394484e+03 1.72 2.296964351e+02 2.296964351e+02 1.105875394e+03 1.105875394e+03 1.909983988e+01 1.909983988e+01 1.904556279e+01 1.904556279e+01 1.503712506e+03 1.503712506e+03 1.74 1.823694066e+02 1.823694066e+02 8.936034691e+02 8.936034691e+02 1.516949751e+01 1.516949751e+01 1.512174742e+01 1.512174742e+01 1.219924396e+03 1.219924396e+03 1.76 1.446773651e+02 1.446773651e+02 7.218341380e+02 7.218341380e+02 1.205776156e+01 1.205776156e+01 1.201611686e+01 1.201611686e+01 9.895629219e+02 9.895629219e+02 1.78 1.146683295e+02 1.146683295e+02 5.828311674e+02 5.828311674e+02 9.584024700e+00 9.584024700e+00 9.547955346e+00 9.547955346e+00 8.025455627e+02 8.025455627e+02 1.80 9.077907966e+01 9.077907966e+01 4.703443550e+02 4.703443550e+02 7.607989473e+00 7.607989473e+00 7.576875725e+00 7.576875725e+00 6.507178124e+02 6.507178124e+02 1.82 7.176334612e+01 7.176334612e+01 3.793387578e+02 3.793387578e+02 6.020837904e+00 6.020837904e+00 5.993724889e+00 5.993724889e+00 5.274627459e+02 5.274627459e+02 1.84 5.663468937e+01 5.663468937e+01 3.057336730e+02 3.057336730e+02 4.737797394e+00 4.737797394e+00 4.713663333e+00 4.713663333e+00 4.273770354e+02 4.273770354e+02 1.86 4.460415320e+01 4.460415320e+01 2.462213813e+02 2.462213813e+02 3.692915287e+00 3.692915287e+00 3.671069362e+00 3.671069362e+00 3.460756289e+02 3.460756289e+02 1.88 3.504091498e+01 3.504091498e+01 1.981205550e+02 1.981205550e+02 2.834949529e+00 2.834949529e+00 2.814933817e+00 2.814933817e+00 2.800394786e+02 2.800394786e+02 1.90 2.743972840e+01 2.743972840e+01 1.592515504e+02 1.592515504e+02 2.124170884e+00 2.124170884e+00 2.105684198e+00 2.105684198e+00 2.264171868e+02 2.264171868e+02 1.92 2.139805696e+01 2.139805696e+01 1.278510396e+02 1.278510396e+02 1.529832297e+00 1.529832297e+00 1.512658171e+00 1.512658171e+00 1.828829314e+02 1.828829314e+02 1.94 1.659597646e+01 1.659597646e+01 1.024944952e+02 1.024944952e+02 1.028104832e+00 1.028104832e+00 1.012086816e+00 1.012086816e+00 1.475420957e+02 1.475420957e+02 1.96 1.277821205e+01 1.277821205e+01 8.202286204e+01 8.202286204e+01 6.005370103e-01 6.005370103e-01 5.855608922e-01 5.855608922e-01 1.188640186e+02 1.188640186e+02 1.98 9.741293687e+00 9.741293687e+00 6.550363745e+01 6.550363745e+01 2.328475760e-01 2.328475760e-01 2.188289309e-01 2.188289309e-01 9.560462257e+01 9.560462257e+01 2.00 7.323198766e+00 7.323198766e+00 5.217413122e+01 5.217413122e+01 -8.598257963e-02 -8.598257963e-02 -9.911310101e-02 -9.911310101e-02 7.675170049e+01 7.675170049e+01 2.02 5.394725957e+00 5.394725957e+00 4.141650699e+01 4.141650699e+01 -3.643789545e-01 -3.643789545e-01 -3.767092061e-01 -3.767092061e-01 6.147949882e+01 6.147949882e+01 2.04 3.853788933e+00 3.853788933e+00 3.273995815e+01 3.273995815e+01 -6.088904583e-01 -6.088904583e-01 -6.205258334e-01 -6.205258334e-01 4.911435648e+01 4.911435648e+01 2.06 2.619460842e+00 2.619460842e+00 2.574718584e+01 2.574718584e+01 -8.246585482e-01 -8.246585482e-01 -8.357077214e-01 -8.357077214e-01 3.910891808e+01 3.910891808e+01 2.08 1.627921720e+00 1.627921720e+00 2.011533049e+01 2.011533049e+01 -1.015730241e+00 -1.015730241e+00 -1.026299312e+00 -1.026299312e+00 3.101710794e+01 3.101710794e+01 2.10 8.286753122e-01 8.286753122e-01 1.558226019e+01 1.558226019e+01 -1.185310506e+00 -1.185310506e+00 -1.195500276e+00 -1.195500276e+00 2.447543028e+01 2.447543028e+01 2.12 1.817738195e-01 1.817738195e-01 1.193535695e+01 1.193535695e+01 -1.335958580e+00 -1.335958580e+00 -1.345863186e+00 -1.345863186e+00 1.918810444e+01 1.918810444e+01 2.14 -3.443258628e-01 -3.443258628e-01 9.002347979e+00 9.002347979e+00 -1.469740084e+00 -1.469740084e+00 -1.479434224e+00 -1.479434224e+00 1.491584071e+01 1.491584071e+01 2.16 -7.744826440e-01 -7.744826440e-01 6.643808364e+00 6.643808364e+00 -1.588343281e+00 -1.588343281e+00 -1.597844747e+00 -1.597844747e+00 1.146486955e+01 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