# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Borovikov-V-Mendelev-M-I-King-A-H--fictional-Cu-33 # implementation = 2016--Borovikov-V--fictional-Cu-33--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 3.887460047e+04 0.14 2.945558248e+04 0.16 2.288991962e+04 0.18 1.814119438e+04 0.20 1.460755764e+04 0.22 1.191802689e+04 0.24 9.832886247e+03 0.26 8.191244391e+03 0.28 6.881709420e+03 0.30 5.825149745e+03 0.32 4.964123741e+03 0.34 4.256162006e+03 0.36 3.669364954e+03 0.38 3.179440376e+03 0.40 2.767663778e+03 0.42 2.419445753e+03 0.44 2.123307980e+03 0.46 1.870139968e+03 0.48 1.652652176e+03 0.50 1.464968615e+03 0.52 1.302320009e+03 0.54 1.160810391e+03 0.56 1.037237970e+03 0.58 9.289564796e+02 0.60 8.337670530e+02 0.62 7.498332911e+02 0.64 6.756141076e+02 0.66 6.098102871e+02 0.68 5.513217319e+02 0.70 4.992130661e+02 0.72 4.526858141e+02 0.74 4.110557836e+02 0.76 3.737345910e+02 0.78 3.402145031e+02 0.80 3.100559431e+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 1.289844286e+02 1.02 1.184359610e+02 1.04 1.084395037e+02 1.06 9.900907386e+01 1.08 9.015074405e+01 1.10 8.186358236e+01 1.12 7.414059859e+01 1.14 6.696966789e+01 1.16 6.033441428e+01 1.18 5.421504046e+01 1.20 4.858909400e+01 1.22 4.343216330e+01 1.24 3.871849983e+01 1.26 3.442156540e+01 1.28 3.051450562e+01 1.30 2.697055220e+01 1.32 2.376335788e+01 1.34 2.086726916e+01 1.36 1.825754203e+01 1.38 1.591050667e+01 1.40 1.380368706e+01 1.42 1.191588123e+01 1.44 1.022720790e+01 1.46 8.719124759e+00 1.48 7.374423364e+00 1.50 6.177205013e+00 1.52 5.112841723e+00 1.54 4.167925751e+00 1.56 3.330210786e+00 1.58 2.588547401e+00 1.60 1.932815013e+00 1.62 1.353852158e+00 1.64 8.433866165e-01 1.66 3.939665436e-01 1.68 -1.106436962e-03 1.70 -3.478414940e-01 1.72 -6.516196966e-01 1.74 -9.172516304e-01 1.76 -1.149031322e+00 1.78 -1.350786375e+00 1.80 -1.525924326e+00 1.82 -1.677475265e+00 1.84 -1.808130863e+00 1.86 -1.920279938e+00 1.88 -2.016040767e+00 1.90 -2.097290318e+00 1.92 -2.165690625e+00 1.94 -2.222712524e+00 1.96 -2.269656940e+00 1.98 -2.307673941e+00 2.00 -2.337779763e+00 2.02 -2.360871970e+00 2.04 -2.377742949e+00 2.06 -2.389091877e+00 2.08 -2.395535337e+00 2.10 -2.397616694e+00 2.12 -2.396864475e+00 2.14 -2.394777697e+00 2.16 -2.391644477e+00 2.18 -2.387592140e+00 2.20 -2.382643293e+00 2.22 -2.376759602e+00 2.24 -2.369874872e+00 2.26 -2.361918974e+00 2.28 -2.352834026e+00 2.30 -2.342584157e+00 2.32 -2.331160081e+00 2.34 -2.318579597e+00 2.36 -2.304885033e+00 2.38 -2.290138579e+00 2.40 -2.274416297e+00 2.42 -2.257801551e+00 2.44 -2.240378451e+00 2.46 -2.222225848e+00 2.48 -2.203412330e+00 2.50 -2.183992531e+00 2.52 -2.164004947e+00 2.54 -2.143471404e+00 2.56 -2.122398172e+00 2.58 -2.100778671e+00 2.60 -2.078597572e+00 2.62 -2.055836012e+00 2.64 -2.032477551e+00 2.66 -2.008514384e+00 2.68 -1.983953223e+00 2.70 -1.958820179e+00 2.72 -1.933163849e+00 2.74 -1.907055731e+00 2.76 -1.880586993e+00 2.78 -1.853860493e+00 2.80 -1.826976889e+00 2.82 -1.800015645e+00 2.84 -1.773033910e+00 2.86 -1.746080045e+00 2.88 -1.719195908e+00 2.90 -1.692417536e+00 2.92 -1.665775791e+00 2.94 -1.639296984e+00 2.96 -1.613003443e+00 2.98 -1.586913928e+00 3.00 -1.561044154e+00 3.02 -1.535407278e+00 3.04 -1.510014095e+00 3.06 -1.484873536e+00 3.08 -1.459992994e+00 3.10 -1.435378365e+00 3.12 -1.411034683e+00 3.14 -1.386965892e+00 3.16 -1.363175433e+00 3.18 -1.339666125e+00 3.20 -1.316440458e+00 3.22 -1.293500673e+00 3.24 -1.270848778e+00 3.26 -1.248486595e+00 3.28 -1.226415899e+00 3.30 -1.204638139e+00 3.32 -1.183155179e+00 3.34 -1.161968096e+00 3.36 -1.141078881e+00 3.38 -1.120488508e+00 3.40 -1.100198544e+00 3.42 -1.080210562e+00 3.44 -1.060525114e+00 3.46 -1.041144016e+00 3.48 -1.022067887e+00 3.50 -1.003296953e+00 3.52 -9.848327150e-01 3.54 -9.666748391e-01 3.56 -9.488225639e-01 3.58 -9.312765425e-01 3.60 -9.140360737e-01 3.62 -8.970982732e-01 3.64 -8.804621500e-01 3.66 -8.641272691e-01 3.68 -8.480889432e-01 3.70 -8.323429470e-01 3.72 -8.168868320e-01 3.74 -8.017186664e-01 3.76 -7.868306277e-01 3.78 -7.722152136e-01 3.80 -7.578679711e-01 3.82 -7.437851191e-01 3.84 -7.299617916e-01 3.86 -7.163819992e-01 3.88 -7.030373611e-01 3.90 -6.899224892e-01 3.92 -6.770325738e-01 3.94 -6.643632143e-01 3.96 -6.518977312e-01 3.98 -6.396092691e-01 4.00 -6.274951822e-01 4.02 -6.155535270e-01 4.04 -6.037824184e-01 4.06 -5.921799913e-01 4.08 -5.807443837e-01 4.10 -5.693271894e-01 4.12 -5.577997830e-01 4.14 -5.462873005e-01 4.16 -5.348947676e-01 4.18 -5.237078160e-01 4.20 -5.127952540e-01 4.22 -5.022113700e-01 4.24 -4.919979931e-01 4.26 -4.821863314e-01 4.28 -4.729160021e-01 4.30 -4.642695038e-01 4.32 -4.559372659e-01 4.34 -4.476578283e-01 4.36 -4.392236528e-01 4.38 -4.304739948e-01 4.40 -4.212885896e-01 4.42 -4.115820660e-01 4.44 -4.012990111e-01 4.46 -3.904096138e-01 4.48 -3.789058234e-01 4.50 -3.667979627e-01 4.52 -3.541117200e-01 4.54 -3.408852367e-01 4.56 -3.271017452e-01 4.58 -3.128541727e-01 4.60 -2.983383315e-01 4.62 -2.837211578e-01 4.64 -2.691437472e-01 4.66 -2.547240416e-01 4.68 -2.405591693e-01 4.70 -2.267274624e-01 4.72 -2.132901739e-01 4.74 -2.002929140e-01 4.76 -1.877668256e-01 4.78 -1.757295149e-01 4.80 -1.641857537e-01 4.82 -1.531285901e-01 4.84 -1.425464016e-01 4.86 -1.324294122e-01 4.88 -1.227697531e-01 4.90 -1.135609381e-01 4.92 -1.047973934e-01 4.94 -9.647404158e-02 4.96 -8.858593784e-02 4.98 -8.112795898e-02 5.00 -7.409454226e-02 5.02 -6.747947272e-02 5.04 -6.127571649e-02 5.06 -5.547529739e-02 5.08 -5.006921419e-02 5.10 -4.504739530e-02 5.12 -4.039868778e-02 5.14 -3.611087745e-02 5.16 -3.217073659e-02 5.18 -2.856409599e-02 5.20 -2.527593778e-02 5.22 -2.229050569e-02 5.24 -1.959142951e-02 5.26 -1.716186018e-02 5.28 -1.498461266e-02 5.30 -1.304231324e-02 5.32 -1.131754849e-02 5.34 -9.793013043e-03 5.36 -8.451653546e-03 5.38 -7.276806493e-03 5.40 -6.252327563e-03 5.42 -5.362710581e-03 5.44 -4.593194281e-03 5.46 -3.929855349e-03 5.48 -3.359686470e-03 5.50 -2.870658360e-03 5.52 -2.451765011e-03 5.54 -2.093051701e-03 5.56 -1.785625539e-03 5.58 -1.521648654e-03 5.60 -1.294314407e-03 5.62 -1.097807299e-03 5.64 -9.272475645e-04 5.66 -7.786217273e-04 5.68 -6.487007149e-04 5.70 -5.349474369e-04 5.72 -4.354160416e-04 5.74 -3.486453807e-04 5.76 -2.735495312e-04 5.78 -2.093085378e-04 5.80 -1.552628600e-04 5.82 -1.108153257e-04 5.84 -7.534471545e-05 5.86 -4.813542086e-05 5.88 -2.832794199e-05 5.90 -1.489531108e-05 5.92 -6.650850592e-06 5.94 -2.292996084e-06 5.96 -4.932362632e-07 5.98 -3.354473777e-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 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