# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2019--Fischer-F-Schmitz-G-Eich-S-M--Cu-Ni # implementation = 2019--Fischer-F--Cu-Ni--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 Cu Ni Ni Ni 0.02 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.04 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.06 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.08 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.10 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.12 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.14 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.16 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.18 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.20 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.22 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.24 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.26 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.28 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.30 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.32 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.34 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.36 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.38 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.40 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.42 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.44 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.46 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.48 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.50 1.386688946e+03 8.797996328e+00 3.722095340e-02 0.52 1.248359891e+03 8.796653289e+00 3.722095340e-02 0.54 1.114049475e+03 8.795669763e+00 3.722095340e-02 0.56 9.950868448e+02 8.795162054e+00 3.722095340e-02 0.58 8.896601901e+02 8.795108395e+00 3.722095340e-02 0.60 7.961694238e+02 8.795493765e+00 3.722095340e-02 0.62 7.132021893e+02 8.796310730e+00 3.722095340e-02 0.64 6.395125118e+02 8.797560490e+00 3.722095340e-02 0.66 5.740018569e+02 8.799254196e+00 3.722095340e-02 0.68 5.157023007e+02 8.801414492e+00 3.722095340e-02 0.70 4.637615745e+02 8.804077381e+00 3.722095340e-02 0.72 4.174297746e+02 8.807294217e+00 3.722095340e-02 0.74 3.760475500e+02 8.811128220e+00 3.722095340e-02 0.76 3.390356050e+02 8.815642987e+00 3.722095340e-02 0.78 3.058853672e+02 8.820898434e+00 3.722095340e-02 0.80 2.761506936e+02 8.826949242e+00 3.722095340e-02 0.82 2.494404965e+02 8.833843417e+00 3.722095340e-02 0.84 2.254121883e+02 8.841620984e+00 3.722095340e-02 0.86 2.037658527e+02 8.850312869e+00 3.722095340e-02 0.88 1.842390622e+02 8.859939997e+00 3.722095340e-02 0.90 1.666022699e+02 8.870512631e+00 3.722095340e-02 0.92 1.506547096e+02 8.882029994e+00 3.722095340e-02 0.94 1.362207511e+02 8.894480186e+00 3.722095340e-02 0.96 1.231466576e+02 8.907840409e+00 3.722095340e-02 0.98 1.112976998e+02 8.922077518e+00 3.722095340e-02 1.00 1.005555900e+02 8.937148890e+00 3.722095340e-02 1.02 9.081619788e+01 8.953003588e+00 3.722095340e-02 1.04 8.198751782e+01 8.969583853e+00 3.722095340e-02 1.06 7.398785994e+01 8.986826828e+00 3.722095340e-02 1.08 6.674423960e+01 9.004666557e+00 3.722095340e-02 1.10 6.019094361e+01 9.023036179e+00 3.722095340e-02 1.12 5.426825361e+01 9.041870296e+00 3.722095340e-02 1.14 4.892130903e+01 9.061107493e+00 3.722095340e-02 1.16 4.409909441e+01 9.080692953e+00 3.722095340e-02 1.18 3.975353717e+01 9.100581139e+00 3.722095340e-02 1.20 3.583870372e+01 9.120738530e+00 3.722095340e-02 1.22 3.231026708e+01 9.141146375e+00 3.722095340e-02 1.24 2.912689222e+01 9.161803457e+00 3.722095340e-02 1.26 2.625169082e+01 9.182727930e+00 3.722095340e-02 1.28 2.365189757e+01 9.203948272e+00 3.722095340e-02 1.30 2.129841737e+01 9.225491590e+00 3.722095340e-02 1.32 1.916542140e+01 9.247382271e+00 3.722095340e-02 1.34 1.722998669e+01 9.269641873e+00 3.722095340e-02 1.36 1.547177444e+01 9.292289033e+00 3.722095340e-02 1.38 1.387274281e+01 9.315339406e+00 3.722095340e-02 1.40 1.241689052e+01 9.338805617e+00 3.722095340e-02 1.42 1.109002775e+01 9.362697239e+00 3.722095340e-02 1.44 9.879571564e+00 9.387020790e+00 3.722095340e-02 1.46 8.774362998e+00 9.411779744e+00 3.722095340e-02 1.48 7.764503598e+00 9.436974571e+00 3.722095340e-02 1.50 6.841209231e+00 9.462548978e+00 3.721665716e-02 1.52 5.996679365e+00 8.464360063e+00 -4.729437563e-02 1.54 5.223980084e+00 7.486935767e+00 -1.362326435e-01 1.56 4.516939375e+00 6.592131669e+00 -2.239145751e-01 1.58 3.870053421e+00 5.772972206e+00 -3.102019849e-01 1.60 3.278402643e+00 5.023220377e+00 -3.949632094e-01 1.62 2.737576497e+00 4.337282942e+00 -4.780732020e-01 1.64 2.243606086e+00 3.710125448e+00 -5.594135951e-01 1.66 1.792903725e+00 3.137196051e+00 -6.388727609e-01 1.68 1.382208765e+00 2.614357224e+00 -7.163458696e-01 1.70 1.008538964e+00 2.137824437e+00 -7.917349357e-01 1.72 6.691468642e-01 1.704111171e+00 -8.649488438e-01 1.74 3.614806010e-01 1.309979519e+00 -9.359033725e-01 1.76 8.314872402e-02 9.523958131e-01 -1.004521230e+00 1.78 -1.681114350e-01 6.284907531e-01 -1.070732050e+00 1.80 -3.944621848e-01 3.355235584e-01 -1.134472382e+00 1.82 -5.979846509e-01 7.085780384e-02 -1.195685682e+00 1.84 -7.806313655e-01 -1.679786601e-01 -1.254322272e+00 1.86 -9.441765940e-01 -3.832309089e-01 -1.310339291e+00 1.88 -1.090228578e+00 -5.769323938e-01 -1.363700637e+00 1.90 -1.220246332e+00 -7.509261444e-01 -1.414376896e+00 1.92 -1.335554808e+00 -9.068838974e-01 -1.462345260e+00 1.94 -1.437358553e+00 -1.046323353e+00 -1.507589419e+00 1.96 -1.526754030e+00 -1.170623743e+00 -1.550099457e+00 1.98 -1.604740769e+00 -1.281039905e+00 -1.589871726e+00 2.00 -1.672231408e+00 -1.378714894e+00 -1.626908705e+00 2.02 -1.730060789e+00 -1.464691360e+00 -1.661218860e+00 2.04 -1.778994190e+00 -1.539921871e+00 -1.692816472e+00 2.06 -1.819734745e+00 -1.605278303e+00 -1.721721468e+00 2.08 -1.852930197e+00 -1.661560346e+00 -1.747959236e+00 2.10 -1.879179002e+00 -1.709503242e+00 -1.771560429e+00 2.12 -1.899035849e+00 -1.749784813e+00 -1.792560754e+00 2.14 -1.913016698e+00 -1.783031856e+00 -1.811000768e+00 2.16 -1.921603329e+00 -1.809825957e+00 -1.826925638e+00 2.18 -1.925247488e+00 -1.830708795e+00 -1.840384913e+00 2.20 -1.924374650e+00 -1.846186976e+00 -1.851432283e+00 2.22 -1.919387441e+00 -1.856736439e+00 -1.860125327e+00 2.24 -1.910668766e+00 -1.862806525e+00 -1.866525255e+00 2.26 -1.898583998e+00 -1.864823494e+00 -1.870696649e+00 2.28 -1.883476541e+00 -1.863185792e+00 -1.872707194e+00 2.30 -1.865663145e+00 -1.858258372e+00 -1.872627408e+00 2.32 -1.845435436e+00 -1.850374759e+00 -1.870530367e+00 2.34 -1.823061878e+00 -1.839839669e+00 -1.866491429e+00 2.36 -1.798789588e+00 -1.826931420e+00 -1.860587954e+00 2.38 -1.772845985e+00 -1.811904129e+00 -1.852899030e+00 2.40 -1.745440303e+00 -1.794989740e+00 -1.843505189e+00 2.42 -1.716764985e+00 -1.776399876e+00 -1.832488137e+00 2.44 -1.686996956e+00 -1.756327541e+00 -1.819930475e+00 2.46 -1.656298792e+00 -1.734948681e+00 -1.805915430e+00 2.48 -1.624819798e+00 -1.712423620e+00 -1.790526592e+00 2.50 -1.592697002e+00 -1.688898377e+00 -1.773847646e+00 2.52 -1.560056061e+00 -1.664505875e+00 -1.755962122e+00 2.54 -1.527012109e+00 -1.639367057e+00 -1.736953144e+00 2.56 -1.493670527e+00 -1.613591903e+00 -1.716903192e+00 2.58 -1.460127664e+00 -1.587280370e+00 -1.695893867e+00 2.60 -1.426471493e+00 -1.560523260e+00 -1.674005671e+00 2.62 -1.392782229e+00 -1.533403003e+00 -1.651317791e+00 2.64 -1.359132891e+00 -1.505994396e+00 -1.627907900e+00 2.66 -1.325589826e+00 -1.478365262e+00 -1.603851966e+00 2.68 -1.292213197e+00 -1.450577074e+00 -1.579224067e+00 2.70 -1.259057435e+00 -1.422685507e+00 -1.554096232e+00 2.72 -1.226171649e+00 -1.394740966e+00 -1.528538283e+00 2.74 -1.193600024e+00 -1.366789056e+00 -1.502617694e+00 2.76 -1.161382176e+00 -1.338871015e+00 -1.476399464e+00 2.78 -1.129553486e+00 -1.311024114e+00 -1.449946004e+00 2.80 -1.098145417e+00 -1.283282021e+00 -1.423317031e+00 2.82 -1.067185798e+00 -1.255675135e+00 -1.396569488e+00 2.84 -1.036699098e+00 -1.228230885e+00 -1.369757473e+00 2.86 -1.006706675e+00 -1.200974018e+00 -1.342932168e+00 2.88 -9.772270142e-01 -1.173926842e+00 -1.316141807e+00 2.90 -9.482759402e-01 -1.147109458e+00 -1.289431644e+00 2.92 -9.198668253e-01 -1.120539977e+00 -1.262843923e+00 2.94 -8.920107778e-01 -1.094234699e+00 -1.236417882e+00 2.96 -8.647168187e-01 -1.068208294e+00 -1.210189765e+00 2.98 -8.379920465e-01 -1.042473958e+00 -1.184192833e+00 3.00 -8.118417922e-01 -1.017043539e+00 -1.158457392e+00 3.02 -7.862697625e-01 -9.919276804e-01 -1.133010849e+00 3.04 -7.612781736e-01 -9.671359381e-01 -1.107877767e+00 3.06 -7.368678764e-01 -9.426768650e-01 -1.083079908e+00 3.08 -7.130384734e-01 -9.185581057e-01 -1.058636313e+00 3.10 -6.897884278e-01 -8.947864950e-01 -1.034563407e+00 3.12 -6.671151639e-01 -8.713681282e-01 -1.010875074e+00 3.14 -6.450151630e-01 -8.483084034e-01 -9.875827356e-01 3.16 -6.234840512e-01 -8.256120824e-01 -9.646954681e-01 3.18 -6.025166811e-01 -8.032833699e-01 -9.422201342e-01 3.20 -5.821072095e-01 -7.813259456e-01 -9.201614957e-01 3.22 -5.622491673e-01 -7.597429962e-01 -8.985222909e-01 3.24 -5.429355279e-01 -7.385372325e-01 -8.773033616e-01 3.26 -5.241587670e-01 -7.177109249e-01 -8.565038347e-01 3.28 -5.059109212e-01 -6.972659670e-01 -8.361212360e-01 3.30 -4.881836410e-01 -6.772039238e-01 -8.161516059e-01 3.32 -4.709682403e-01 -6.575259220e-01 -7.965895705e-01 3.34 -4.542557424e-01 -6.382327637e-01 -7.774285123e-01 3.36 -4.380369229e-01 -6.193249136e-01 -7.586607666e-01 3.38 -4.223023488e-01 -6.008024869e-01 -7.402777993e-01 3.40 -4.070424150e-01 -5.826654255e-01 -7.222700935e-01 3.42 -3.922473786e-01 -5.649132409e-01 -7.046273872e-01 3.44 -3.779073892e-01 -5.475453194e-01 -6.873388772e-01 3.46 -3.640125180e-01 -5.305605267e-01 -6.703932270e-01 3.48 -3.505527847e-01 -5.139576672e-01 -6.537788663e-01 3.50 -3.375181807e-01 -4.977350035e-01 -6.374840640e-01 3.52 -3.248986925e-01 -4.818908220e-01 -6.214966077e-01 3.54 -3.126843210e-01 -4.664229041e-01 -6.058045464e-01 3.56 -3.008651011e-01 -4.513291564e-01 -5.903954219e-01 3.58 -2.894311184e-01 -4.366069112e-01 -5.752574825e-01 3.60 -2.783725240e-01 -4.222533566e-01 -5.603788063e-01 3.62 -2.676795611e-01 -4.082657152e-01 -5.457486139e-01 3.64 -2.573425510e-01 -3.946402777e-01 -5.313554406e-01 3.66 -2.473518688e-01 -3.813735534e-01 -5.171895707e-01 3.68 -2.376980743e-01 -3.684619169e-01 -5.032398559e-01 3.70 -2.283719069e-01 -3.559008794e-01 -4.894970763e-01 3.72 -2.193641472e-01 -3.436864250e-01 -4.759514800e-01 3.74 -2.106656350e-01 -3.318144699e-01 -4.625943504e-01 3.76 -2.022675125e-01 -3.202797879e-01 -4.494186959e-01 3.78 -1.941617095e-01 -3.090781194e-01 -4.364161613e-01 3.80 -1.863401991e-01 -2.982059295e-01 -4.235826679e-01 3.82 -1.787947740e-01 -2.876576238e-01 -4.109104651e-01 3.84 -1.715164581e-01 -2.774264743e-01 -3.983949891e-01 3.86 -1.644963392e-01 -2.675080785e-01 -3.860417362e-01 3.88 -1.577258321e-01 -2.578982810e-01 -3.738694129e-01 3.90 -1.511967736e-01 -2.485958308e-01 -3.618627675e-01 3.92 -1.449016226e-01 -2.395975623e-01 -3.499551421e-01 3.94 -1.388327552e-01 -2.308841524e-01 -3.380967023e-01 3.96 -1.329827420e-01 -2.224386312e-01 -3.261678609e-01 3.98 -1.273443731e-01 -2.142469550e-01 -3.143339994e-01 4.00 -1.219106820e-01 -2.062904511e-01 -3.028517703e-01 4.02 -1.166751241e-01 -1.985374082e-01 -2.919139879e-01 4.04 -1.116312356e-01 -1.910252218e-01 -2.816553477e-01 4.06 -1.067726819e-01 -1.837917730e-01 -2.719152426e-01 4.08 -1.020932872e-01 -1.768654728e-01 -2.623376251e-01 4.10 -9.758703304e-02 -1.702666261e-01 -2.526576385e-01 4.12 -9.324805619e-02 -1.640086821e-01 -2.426932551e-01 4.14 -8.907070446e-02 -1.580982250e-01 -2.323303666e-01 4.16 -8.504956884e-02 -1.524877558e-01 -2.216110655e-01 4.18 -8.117934978e-02 -1.471143764e-01 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