# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu # implementation = 2004--Zhou-X-W--Cu--LAMMPS--ipr2 # 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 6.397364651e+03 0.04 3.196592702e+03 0.06 2.129668719e+03 0.08 1.596206727e+03 0.10 1.276129532e+03 0.12 1.062744735e+03 0.14 9.103270234e+02 0.16 7.960137395e+02 0.18 7.071034076e+02 0.20 6.359751420e+02 0.22 5.777792884e+02 0.24 5.292827437e+02 0.26 4.882472059e+02 0.28 4.530738878e+02 0.30 4.225903454e+02 0.32 3.959172458e+02 0.34 3.723821580e+02 0.36 3.514620799e+02 0.38 3.327441152e+02 0.40 3.158979471e+02 0.42 3.006561759e+02 0.44 2.868000203e+02 0.46 2.741487477e+02 0.48 2.625517479e+02 0.50 2.518181428e+02 0.52 2.355835275e+02 0.54 2.203054690e+02 0.56 2.059848998e+02 0.58 1.925623139e+02 0.60 1.799818896e+02 0.62 1.681912615e+02 0.64 1.571413074e+02 0.66 1.467859474e+02 0.68 1.370819560e+02 0.70 1.279887859e+02 0.72 1.194684020e+02 0.74 1.114851267e+02 0.76 1.040054938e+02 0.78 9.699811181e+01 0.80 9.043353562e+01 0.82 8.428414640e+01 0.84 7.852403848e+01 0.86 7.312891341e+01 0.88 6.807598059e+01 0.90 6.334386401e+01 0.92 5.891251469e+01 0.94 5.476299574e+01 0.96 5.087626944e+01 0.98 4.723654784e+01 1.00 4.382954479e+01 1.02 4.064170408e+01 1.04 3.766017135e+01 1.06 3.487276590e+01 1.08 3.226795282e+01 1.10 2.983481531e+01 1.12 2.756302573e+01 1.14 2.544273313e+01 1.16 2.346453924e+01 1.18 2.161958699e+01 1.20 1.989953952e+01 1.22 1.829655186e+01 1.24 1.680324402e+01 1.26 1.541267528e+01 1.28 1.411831977e+01 1.30 1.291404330e+01 1.32 1.179408121e+01 1.34 1.075301755e+01 1.36 9.785765100e+00 1.38 8.887546610e+00 1.40 8.053876917e+00 1.42 7.280546054e+00 1.44 6.563603240e+00 1.46 5.899341746e+00 1.48 5.284284575e+00 1.50 4.715170926e+00 1.52 4.188943411e+00 1.54 3.702735970e+00 1.56 3.253862468e+00 1.58 2.839805937e+00 1.60 2.458208412e+00 1.62 2.106861357e+00 1.64 1.783696635e+00 1.66 1.486777992e+00 1.68 1.214293036e+00 1.70 9.645456811e-01 1.72 7.359490268e-01 1.74 5.270186593e-01 1.76 3.363663416e-01 1.78 1.626940766e-01 1.80 4.788520817e-03 1.82 -1.384842707e-01 1.84 -2.681837861e-01 1.86 -3.852997044e-01 1.88 -4.907562636e-01 1.90 -5.854163675e-01 1.92 -6.700854444e-01 1.94 -7.455150724e-01 1.96 -8.124063858e-01 1.98 -8.714132736e-01 2.00 -9.231453841e-01 2.02 -9.681709448e-01 2.04 -1.007019411e+00 2.06 -1.040183950e+00 2.08 -1.068123776e+00 2.10 -1.091266335e+00 2.12 -1.110009362e+00 2.14 -1.124722803e+00 2.16 -1.135750627e+00 2.18 -1.143412515e+00 2.20 -1.148005451e+00 2.22 -1.149805214e+00 2.24 -1.149067768e+00 2.26 -1.146030578e+00 2.28 -1.140913832e+00 2.30 -1.133921593e+00 2.32 -1.125242873e+00 2.34 -1.115052648e+00 2.36 -1.103512798e+00 2.38 -1.090772996e+00 2.40 -1.076971537e+00 2.42 -1.062236115e+00 2.44 -1.046684552e+00 2.46 -1.030425478e+00 2.48 -1.013558972e+00 2.50 -9.961771577e-01 2.52 -9.783647642e-01 2.54 -9.601996513e-01 2.56 -9.417532995e-01 2.58 -9.230912700e-01 2.60 -9.042736350e-01 2.62 -8.853553805e-01 2.64 -8.663867832e-01 2.66 -8.474137628e-01 2.68 -8.284782118e-01 2.70 -8.096183025e-01 2.72 -7.908687742e-01 2.74 -7.722611997e-01 2.76 -7.538242327e-01 2.78 -7.355838366e-01 2.80 -7.175634933e-01 2.82 -6.997843948e-01 2.84 -6.822656142e-01 2.86 -6.650242567e-01 2.88 -6.480755895e-01 2.90 -6.314331490e-01 2.92 -6.151088229e-01 2.94 -5.991129056e-01 2.96 -5.834541253e-01 2.98 -5.681396400e-01 3.00 -5.531750015e-01 3.02 -5.385640883e-01 3.04 -5.243090082e-01 3.06 -5.104099777e-01 3.08 -4.968651849e-01 3.10 -4.836706530e-01 3.12 -4.708201217e-01 3.14 -4.583049734e-01 3.16 -4.461142322e-01 3.18 -4.342346676e-01 3.20 -4.226510292e-01 3.22 -4.113464312e-01 3.24 -4.003028896e-01 3.26 -3.895019945e-01 3.28 -3.789256766e-01 3.30 -3.685570041e-01 3.32 -3.583809355e-01 3.34 -3.483849478e-01 3.36 -3.385594740e-01 3.38 -3.288981052e-01 3.40 -3.193975476e-01 3.42 -3.100573526e-01 3.44 -3.008794697e-01 3.46 -2.918676848e-01 3.48 -2.830270129e-01 3.50 -2.743631044e-01 3.52 -2.658817149e-01 3.54 -2.575882657e-01 3.56 -2.494875108e-01 3.58 -2.415833073e-01 3.60 -2.338784809e-01 3.62 -2.263747701e-01 3.64 -2.190728304e-01 3.66 -2.119722823e-01 3.68 -2.050717861e-01 3.70 -1.983691329e-01 3.72 -1.918613395e-01 3.74 -1.855447418e-01 3.76 -1.794150813e-01 3.78 -1.734675820e-01 3.80 -1.676970153e-01 3.82 -1.620977540e-01 3.84 -1.566638132e-01 3.86 -1.513888815e-01 3.88 -1.462663417e-01 3.90 -1.412892821e-01 3.92 -1.364505021e-01 3.94 -1.317425107e-01 3.96 -1.271575224e-01 3.98 -1.226874520e-01 4.00 -1.183239102e-01 4.02 -1.140582052e-01 4.04 -1.098813524e-01 4.06 -1.057840984e-01 4.08 -1.017569646e-01 4.10 -9.779031669e-02 4.12 -9.387446838e-02 4.14 -8.999982625e-02 4.16 -8.615708458e-02 4.18 -8.233747608e-02 4.20 -7.853308300e-02 4.22 -7.473720957e-02 4.24 -7.094480830e-02 4.26 -6.715294448e-02 4.28 -6.336127233e-02 4.30 -5.957248287e-02 4.32 -5.579267253e-02 4.34 -5.203157225e-02 4.36 -4.830257553e-02 4.38 -4.462251108e-02 4.40 -4.101077684e-02 4.42 -3.748909502e-02 4.44 -3.408060618e-02 4.46 -3.080827699e-02 4.48 -2.769361781e-02 4.50 -2.475547760e-02 4.52 -2.200904143e-02 4.54 -1.946512810e-02 4.56 -1.712984148e-02 4.58 -1.500457977e-02 4.60 -1.308636178e-02 4.62 -1.136839669e-02 4.64 -9.840808124e-03 4.66 -8.491423314e-03 4.68 -7.306550634e-03 4.70 -6.271688211e-03 4.72 -5.372127659e-03 4.74 -4.593436535e-03 4.76 -3.921818579e-03 4.78 -3.344361438e-03 4.80 -2.849187772e-03 4.82 -2.425528109e-03 4.84 -2.063733743e-03 4.86 -1.755246295e-03 4.88 -1.492538019e-03 4.90 -1.269034193e-03 4.92 -1.079026292e-03 4.94 -9.175823203e-04 4.96 -7.804587194e-04 4.98 -6.640167720e-04 5.00 -5.651452210e-04 5.02 -4.811899887e-04 5.04 -4.098912744e-04 5.06 -3.493279011e-04 5.08 -2.978685321e-04 5.10 -2.541292250e-04 5.12 -2.169367267e-04 5.14 -1.852968853e-04 5.16 -1.583675781e-04 5.18 -1.354355843e-04 5.20 -1.158968811e-04 5.22 -9.923989135e-05 5.24 -8.503126754e-05 5.26 -7.290384176e-05 5.28 -6.254642470e-05 5.30 -5.369517571e-05 5.32 -4.612630683e-05 5.34 -3.964991673e-05 5.36 -3.410478107e-05 5.38 -2.935395135e-05 5.40 -2.528103668e-05 5.42 -2.178706236e-05 5.44 -1.878781506e-05 5.46 -1.621159889e-05 5.48 -1.399733796e-05 5.50 -1.209297141e-05 5.52 -1.045409535e-05 5.54 -9.042812988e-06 5.56 -7.826760810e-06 5.58 -6.778283232e-06 5.60 -5.873732826e-06 5.62 -5.092876647e-06 5.64 -4.418392293e-06 5.66 -3.835439878e-06 5.68 -3.331298283e-06 5.70 -2.895055829e-06 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 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