# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu # implementation = 2023--Daw-M-S--Cu--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-08-31 r Cu Cu 0.02 5.634122107e+03 0.04 4.955286047e+03 0.06 4.365062818e+03 0.08 3.851456339e+03 0.10 3.404111121e+03 0.12 3.014088254e+03 0.14 2.673671803e+03 0.16 2.376201525e+03 0.18 2.115928340e+03 0.20 1.887889490e+03 0.22 1.687800711e+03 0.24 1.511963128e+03 0.26 1.357182868e+03 0.28 1.220701659e+03 0.30 1.100136944e+03 0.32 9.934301890e+02 0.34 8.988022938e+02 0.36 8.147151208e+02 0.38 7.398383155e+02 0.40 6.730206933e+02 0.42 6.132655680e+02 0.44 5.597094840e+02 0.46 5.116038829e+02 0.48 4.682993043e+02 0.50 4.292317712e+02 0.52 3.939110595e+02 0.54 3.619105926e+02 0.56 3.328587363e+02 0.58 3.064313005e+02 0.60 2.823450822e+02 0.62 2.603523032e+02 0.64 2.402358209e+02 0.66 2.218050029e+02 0.68 2.048921749e+02 0.70 1.893495604e+02 0.72 1.750466448e+02 0.74 1.618679051e+02 0.76 1.497108520e+02 0.78 1.384843439e+02 0.80 1.281071319e+02 0.82 1.185066056e+02 0.84 1.096177096e+02 0.86 1.013820091e+02 0.88 9.374688117e+01 0.90 8.666481677e+01 0.92 8.009281532e+01 0.94 7.399186094e+01 0.96 6.832646785e+01 0.98 6.306428558e+01 1.00 5.817575565e+01 1.02 5.363381250e+01 1.04 4.941362248e+01 1.06 4.549235580e+01 1.08 4.184898660e+01 1.10 3.846411764e+01 1.12 3.531982588e+01 1.14 3.239952639e+01 1.16 2.968785195e+01 1.18 2.717054631e+01 1.20 2.483436929e+01 1.22 2.266701210e+01 1.24 2.065702170e+01 1.26 1.879373283e+01 1.28 1.706720695e+01 1.30 1.546817706e+01 1.32 1.398799781e+01 1.34 1.261860017e+01 1.36 1.135245016e+01 1.38 1.018251120e+01 1.40 9.102209618e+00 1.42 8.105403006e+00 1.44 7.186351107e+00 1.46 6.339688973e+00 1.48 5.560402170e+00 1.50 4.843803816e+00 1.52 4.185513291e+00 1.54 3.581436456e+00 1.56 3.027747253e+00 1.58 2.520870564e+00 1.60 2.057466223e+00 1.62 1.634414085e+00 1.64 1.248800081e+00 1.66 8.979031606e-01 1.68 5.791830843e-01 1.70 2.902689801e-01 1.72 2.894862371e-02 1.74 -2.068416111e-01 1.76 -4.190261781e-01 1.78 -6.093992003e-01 1.80 -7.796327661e-01 1.82 -9.312847149e-01 1.84 -1.065805944e+00 1.86 -1.184547269e+00 1.88 -1.288765858e+00 1.90 -1.379631278e+00 1.92 -1.458231162e+00 1.94 -1.525576538e+00 1.96 -1.582606817e+00 1.98 -1.630194484e+00 2.00 -1.669149489e+00 2.02 -1.700223380e+00 2.04 -1.724113161e+00 2.06 -1.741464923e+00 2.08 -1.752877243e+00 2.10 -1.758904369e+00 2.12 -1.760059206e+00 2.14 -1.756816111e+00 2.16 -1.749613515e+00 2.18 -1.738856371e+00 2.20 -1.724918454e+00 2.22 -1.708144510e+00 2.24 -1.688852259e+00 2.26 -1.667334284e+00 2.28 -1.643859784e+00 2.30 -1.618676219e+00 2.32 -1.592010845e+00 2.34 -1.564072153e+00 2.36 -1.535051204e+00 2.38 -1.505122885e+00 2.40 -1.474447075e+00 2.42 -1.443169740e+00 2.44 -1.411423945e+00 2.46 -1.379330807e+00 2.48 -1.347000379e+00 2.50 -1.314532473e+00 2.52 -1.282017432e+00 2.54 -1.249536845e+00 2.56 -1.217164211e+00 2.58 -1.184965566e+00 2.60 -1.153000054e+00 2.62 -1.121320468e+00 2.64 -1.089973752e+00 2.66 -1.059001462e+00 2.68 -1.028440197e+00 2.70 -9.983220081e-01 2.72 -9.686747615e-01 2.74 -9.395224907e-01 2.76 -9.108857156e-01 2.78 -8.827817402e-01 2.80 -8.552249293e-01 2.82 -8.282269639e-01 2.84 -8.017970784e-01 2.86 -7.759422802e-01 2.88 -7.506675528e-01 2.90 -7.259760436e-01 2.92 -7.018692374e-01 2.94 -6.783471174e-01 2.96 -6.554083130e-01 2.98 -6.330502367e-01 3.00 -6.112692102e-01 3.02 -5.900605807e-01 3.04 -5.694188279e-01 3.06 -5.493376625e-01 3.08 -5.298101171e-01 3.10 -5.108286291e-01 3.12 -4.923851172e-01 3.14 -4.744710518e-01 3.16 -4.570775186e-01 3.18 -4.401952780e-01 3.20 -4.238148184e-01 3.22 -4.079264055e-01 3.24 -3.925201267e-01 3.26 -3.775859322e-01 3.28 -3.631136715e-01 3.30 -3.490931276e-01 3.32 -3.355140467e-01 3.34 -3.223661663e-01 3.36 -3.096392394e-01 3.38 -2.973230575e-01 3.40 -2.854074698e-01 3.42 -2.738824015e-01 3.44 -2.627378699e-01 3.46 -2.519639980e-01 3.48 -2.415510274e-01 3.50 -2.314893291e-01 3.52 -2.217694132e-01 3.54 -2.123819370e-01 3.56 -2.033177123e-01 3.58 -1.945677114e-01 3.60 -1.861230721e-01 3.62 -1.779751023e-01 3.64 -1.701152826e-01 3.66 -1.625352699e-01 3.68 -1.552268985e-01 3.70 -1.481821821e-01 3.72 -1.413933142e-01 3.74 -1.348526687e-01 3.76 -1.285527995e-01 3.78 -1.224864402e-01 3.80 -1.166465028e-01 3.82 -1.110260769e-01 3.84 -1.056184280e-01 3.86 -1.004169955e-01 3.88 -9.541539106e-02 3.90 -9.060739598e-02 3.92 -8.598695916e-02 3.94 -8.154819433e-02 3.96 -7.728537745e-02 3.98 -7.319294389e-02 4.00 -6.926548558e-02 4.02 -6.549774800e-02 4.04 -6.188462717e-02 4.06 -5.842116659e-02 4.08 -5.510255409e-02 4.10 -5.192411872e-02 4.12 -4.888132757e-02 4.14 -4.596978259e-02 4.16 -4.318521745e-02 4.18 -4.052349436e-02 4.20 -3.798060095e-02 4.22 -3.555264710e-02 4.24 -3.323586203e-02 4.26 -3.102659087e-02 4.28 -2.892129180e-02 4.30 -2.691653307e-02 4.32 -2.500899008e-02 4.34 -2.319544245e-02 4.36 -2.147277117e-02 4.38 -1.983795575e-02 4.40 -1.828807150e-02 4.42 -1.682022200e-02 4.44 -1.543159857e-02 4.46 -1.411960408e-02 4.48 -1.288171450e-02 4.50 -1.171547707e-02 4.52 -1.061850984e-02 4.54 -9.588501177e-03 4.56 -8.623208871e-03 4.58 -7.720459188e-03 4.60 -6.878145723e-03 4.62 -6.094228149e-03 4.64 -5.366730864e-03 4.66 -4.693741565e-03 4.68 -4.073409760e-03 4.70 -3.503945241e-03 4.72 -2.983616522e-03 4.74 -2.510749260e-03 4.76 -2.083724667e-03 4.78 -1.700977920e-03 4.80 -1.360996578e-03 4.82 -1.062319015e-03 4.84 -8.035328623e-04 4.86 -5.832734791e-04 4.88 -4.002224482e-04 4.90 -2.531060969e-04 4.92 -1.406940508e-04 4.94 -6.179781879e-05 4.96 -1.526941239e-05 4.98 3.066810193e-11 5.00 0.000000000e+00 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 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00