# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Borovikov-V-Mendelev-M-I-King-A-H--fictional-Cu-31 # implementation = 2016--Borovikov-V--fictional-Cu-31--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 2022-05-24 r Cu Cu 0.02 4.183503419e+13 0.04 1.683503419e+13 0.06 8.501700860e+12 0.08 4.335034193e+12 0.10 5.550412452e+11 0.12 3.887444336e+04 0.14 2.945543472e+04 0.16 2.288978118e+04 0.18 1.814106525e+04 0.20 1.460743773e+04 0.22 1.191791606e+04 0.24 9.832784267e+03 0.26 8.191151003e+03 0.28 6.881624356e+03 0.30 5.825072755e+03 0.32 4.964054587e+03 0.34 4.256100441e+03 0.36 3.669310709e+03 0.38 3.179393145e+03 0.40 2.767623209e+03 0.42 2.419411432e+03 0.44 2.123279432e+03 0.46 1.870116649e+03 0.48 1.652633498e+03 0.50 1.464953972e+03 0.52 1.302308793e+03 0.54 1.160802018e+03 0.56 1.037231891e+03 0.58 9.289521972e+02 0.60 8.337641313e+02 0.62 7.498313659e+02 0.64 6.756128900e+02 0.66 6.098095552e+02 0.68 5.513213194e+02 0.70 4.992128526e+02 0.72 4.526857157e+02 0.74 4.110557453e+02 0.76 3.737345796e+02 0.78 3.402145011e+02 0.80 3.100559430e+02 0.82 2.828771501e+02 0.84 2.583455858e+02 0.86 2.361707665e+02 0.88 2.160982591e+02 0.90 1.979046336e+02 0.92 1.813932041e+02 0.94 1.663904247e+02 0.96 1.527428274e+02 0.98 1.403144131e+02 1.00 1.289844274e+02 1.02 1.184741553e+02 1.04 1.085778141e+02 1.06 9.929014611e+01 1.08 9.060103785e+01 1.10 8.249624517e+01 1.12 7.495808886e+01 1.14 6.796610747e+01 1.16 6.149766144e+01 1.18 5.552848476e+01 1.20 5.003318200e+01 1.22 4.498567002e+01 1.24 4.035956523e+01 1.26 3.612851778e+01 1.28 3.226649557e+01 1.30 2.874802084e+01 1.32 2.554836322e+01 1.34 2.264369280e+01 1.36 2.001119746e+01 1.38 1.762916818e+01 1.40 1.547705648e+01 1.42 1.353550758e+01 1.44 1.178637294e+01 1.46 1.021270550e+01 1.48 8.798740538e+00 1.50 7.529865068e+00 1.52 6.392578127e+00 1.54 5.374444169e+00 1.56 4.464041464e+00 1.58 3.650907135e+00 1.60 2.925480220e+00 1.62 2.279043928e+00 1.64 1.703668055e+00 1.66 1.192152324e+00 1.68 7.379712722e-01 1.70 3.352211588e-01 1.72 -2.143076412e-02 1.74 -3.367943659e-01 1.76 -6.152019830e-01 1.78 -8.605509136e-01 1.80 -1.076343037e+00 1.82 -1.265721583e+00 1.84 -1.431505118e+00 1.86 -1.576218833e+00 1.88 -1.702123264e+00 1.90 -1.811240547e+00 1.92 -1.905378384e+00 1.94 -1.986151830e+00 1.96 -2.055003069e+00 1.98 -2.113219325e+00 2.00 -2.161949039e+00 2.02 -2.202216462e+00 2.04 -2.234934792e+00 2.06 -2.260917980e+00 2.08 -2.280891328e+00 2.10 -2.295500985e+00 2.12 -2.304426664e+00 2.14 -2.308593447e+00 2.16 -2.309826142e+00 2.18 -2.309274704e+00 2.20 -2.307597108e+00 2.22 -2.305107358e+00 2.24 -2.301892880e+00 2.26 -2.297905306e+00 2.28 -2.293028398e+00 2.30 -2.287126607e+00 2.32 -2.280077498e+00 2.34 -2.271791071e+00 2.36 -2.262218659e+00 2.38 -2.251353949e+00 2.40 -2.239228315e+00 2.42 -2.225902464e+00 2.44 -2.211456106e+00 2.46 -2.195977120e+00 2.48 -2.179551503e+00 2.50 -2.162255025e+00 2.52 -2.144147329e+00 2.54 -2.125268916e+00 2.56 -2.105641256e+00 2.58 -2.085269969e+00 2.60 -2.064150798e+00 2.62 -2.042277824e+00 2.64 -2.019653127e+00 2.66 -1.996296852e+00 2.68 -1.972256373e+00 2.70 -1.947613007e+00 2.72 -1.922484472e+00 2.74 -1.897021029e+00 2.76 -1.871393004e+00 2.78 -1.845767123e+00 2.80 -1.820268837e+00 2.82 -1.794935608e+00 2.84 -1.769742980e+00 2.86 -1.744666565e+00 2.88 -1.719687955e+00 2.90 -1.694794056e+00 2.92 -1.669976483e+00 2.94 -1.645231023e+00 2.96 -1.620557128e+00 2.98 -1.595957340e+00 3.00 -1.571436899e+00 3.02 -1.547003393e+00 3.04 -1.522666194e+00 3.06 -1.498436249e+00 3.08 -1.474325781e+00 3.10 -1.450347756e+00 3.12 -1.426516007e+00 3.14 -1.402844542e+00 3.16 -1.379347731e+00 3.18 -1.356039826e+00 3.20 -1.332934940e+00 3.22 -1.310046855e+00 3.24 -1.287388814e+00 3.26 -1.264973372e+00 3.28 -1.242812374e+00 3.30 -1.220916548e+00 3.32 -1.199296157e+00 3.34 -1.177959715e+00 3.36 -1.156915650e+00 3.38 -1.136170343e+00 3.40 -1.115729737e+00 3.42 -1.095598765e+00 3.44 -1.075780349e+00 3.46 -1.056277733e+00 3.48 -1.037092071e+00 3.50 -1.018223306e+00 3.52 -9.996719037e-01 3.54 -9.814358301e-01 3.56 -9.635120424e-01 3.58 -9.458984223e-01 3.60 -9.285911005e-01 3.62 -9.115837218e-01 3.64 -8.948716154e-01 3.66 -8.784505507e-01 3.68 -8.623120191e-01 3.70 -8.464480360e-01 3.72 -8.308525379e-01 3.74 -8.155202003e-01 3.76 -8.004401025e-01 3.78 -7.856020035e-01 3.80 -7.709991299e-01 3.82 -7.566258486e-01 3.84 -7.424759527e-01 3.86 -7.285326576e-01 3.88 -7.147873575e-01 3.90 -7.012350268e-01 3.92 -6.878718127e-01 3.94 -6.746948639e-01 3.96 -6.616896325e-01 3.98 -6.488319568e-01 4.00 -6.361224183e-01 4.02 -6.235627975e-01 4.04 -6.111553849e-01 4.06 -5.989028901e-01 4.08 -5.868083646e-01 4.10 -5.747285879e-01 4.12 -5.625403204e-01 4.14 -5.503742063e-01 4.16 -5.383408201e-01 4.18 -5.265312975e-01 4.20 -5.150198183e-01 4.22 -5.038658214e-01 4.24 -4.931159754e-01 4.26 -4.828059293e-01 4.28 -4.730792569e-01 4.30 -4.640218471e-01 4.32 -4.553268759e-01 4.34 -4.467349172e-01 4.36 -4.380396917e-01 4.38 -4.290808879e-01 4.40 -4.197378081e-01 4.42 -4.099237572e-01 4.44 -3.995810967e-01 4.46 -3.886768965e-01 4.48 -3.771991208e-01 4.50 -3.651532911e-01 4.52 -3.525595525e-01 4.54 -3.394498614e-01 4.56 -3.258007540e-01 4.58 -3.116981110e-01 4.60 -2.973305439e-01 4.62 -2.828578662e-01 4.64 -2.684144010e-01 4.66 -2.541119829e-01 4.68 -2.400426578e-01 4.70 -2.262811085e-01 4.72 -2.128868319e-01 4.74 -1.999060892e-01 4.76 -1.873736539e-01 4.78 -1.753143751e-01 4.80 -1.637445778e-01 4.82 -1.526733880e-01 4.84 -1.421046108e-01 4.86 -1.320382948e-01 4.88 -1.224713687e-01 4.90 -1.133981253e-01 4.92 -1.048106431e-01 4.94 -9.669915146e-02 4.96 -8.905234730e-02 4.98 -8.185766958e-02 5.00 -7.510153685e-02 5.02 -6.876955300e-02 5.04 -6.284668567e-02 5.06 -5.731742095e-02 5.08 -5.216589807e-02 5.10 -4.737602667e-02 5.12 -4.293158956e-02 5.14 -3.881633284e-02 5.16 -3.501404544e-02 5.18 -3.150862956e-02 5.20 -2.828416337e-02 5.22 -2.532495699e-02 5.24 -2.261560271e-02 5.26 -2.014102004e-02 5.28 -1.788649628e-02 5.30 -1.583772286e-02 5.32 -1.398082787e-02 5.34 -1.230240497e-02 5.36 -1.078953873e-02 5.38 -9.429826607e-03 5.40 -8.211397420e-03 5.42 -7.122926501e-03 5.44 -6.153647334e-03 5.46 -5.293359742e-03 5.48 -4.532434557e-03 5.50 -3.861814747e-03 5.52 -3.273013007e-03 5.54 -2.758105824e-03 5.56 -2.309724079e-03 5.58 -1.921040273e-03 5.60 -1.585752508e-03 5.62 -1.298065418e-03 5.64 -1.052668283e-03 5.66 -8.447106108e-04 5.68 -6.697755496e-04 5.70 -5.238515366e-04 5.72 -4.033026647e-04 5.74 -3.048383067e-04 5.76 -2.254826107e-04 5.78 -1.625445435e-04 5.80 -1.135892325e-04 5.82 -7.641142595e-05 5.84 -4.901196277e-05 5.86 -2.957821486e-05 5.88 -1.646953876e-05 5.90 -8.208844407e-06 5.92 -3.481463021e-06 5.94 -1.142568469e-06 5.96 -2.344802418e-07 5.98 -1.524911094e-08 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