# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Al # implementation = 2025--Sharifi-H--Cu-Al--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 2025-07-01 r Al Al Al Cu Cu Cu 0.02 1.028140289e+05 1.931880208e+05 4.954943043e+05 0.04 4.400192354e+04 7.929072663e+04 2.067715918e+05 0.06 2.553665024e+04 4.414875884e+04 1.175313404e+05 0.08 1.685684394e+04 2.794735512e+04 7.618510859e+04 0.10 1.196920789e+04 1.901302321e+04 5.320232879e+04 0.12 8.910587048e+03 1.354652518e+04 3.899033190e+04 0.14 6.858160167e+03 9.966567257e+03 2.956217573e+04 0.16 5.410802380e+03 7.507556378e+03 2.298867779e+04 0.18 4.351605415e+03 5.758224395e+03 1.823308975e+04 0.20 3.553960781e+03 4.480080996e+03 1.469336997e+04 0.22 2.939466088e+03 3.526455540e+03 1.199838587e+04 0.24 2.457234689e+03 2.802884063e+03 9.908314076e+03 0.26 2.072950668e+03 2.246231384e+03 8.262186709e+03 0.28 1.762727048e+03 1.813007635e+03 6.948548224e+03 0.30 1.509490653e+03 1.472504603e+03 5.888216958e+03 0.32 1.300762017e+03 1.202586931e+03 5.023710898e+03 0.34 1.127243071e+03 9.870185016e+02 4.312525978e+03 0.36 9.818915000e+02 8.137132072e+02 3.722734097e+03 0.38 8.592966724e+02 6.735585881e+02 3.230018814e+03 0.40 7.552492328e+02 5.596074167e+02 2.815634660e+03 0.42 6.664381665e+02 4.665114224e+02 2.464974559e+03 0.44 5.902332895e+02 3.901172388e+02 2.166544845e+03 0.46 5.245267649e+02 3.271742444e+02 1.911221691e+03 0.48 4.676158915e+02 2.751204398e+02 1.691704041e+03 0.50 4.181151742e+02 2.319235080e+02 1.502105674e+03 0.52 3.748897255e+02 1.959618429e+02 1.337648283e+03 0.54 3.370042203e+02 1.659345413e+02 1.194427931e+03 0.56 3.036833835e+02 1.407927169e+02 1.069235663e+03 0.58 2.742811966e+02 1.196867699e+02 9.594188230e+02 0.60 2.482566582e+02 1.019255403e+02 8.627727970e+02 0.62 2.251545792e+02 8.694448788e+01 7.774559690e+02 0.64 2.045902836e+02 7.428077666e+01 7.019225457e+02 0.66 1.862373133e+02 6.355361304e+01 6.348690383e+02 0.68 1.698175110e+02 5.444867798e+01 5.751914621e+02 0.70 1.550929773e+02 4.670573566e+01 5.219509113e+02 0.72 1.418595005e+02 4.010870750e+01 4.743456724e+02 0.74 1.299411797e+02 3.447770524e+01 4.316885815e+02 0.76 1.191859969e+02 2.966259983e+01 3.933885230e+02 0.78 1.094621533e+02 2.553780655e+01 3.589352330e+02 0.80 1.006550318e+02 2.199804929e+01 3.278867924e+02 0.82 9.266466413e+01 1.895489964e+01 2.998592632e+02 0.84 8.540361118e+01 1.633394175e+01 2.745180749e+02 0.86 7.879518652e+01 1.407244526e+01 2.515708458e+02 0.88 7.277195764e+01 1.211744436e+01 2.307613616e+02 0.90 6.727448037e+01 1.042415072e+01 2.118645162e+02 0.92 6.225022684e+01 8.954638725e+00 1.946820473e+02 0.94 5.765267227e+01 7.676750958e+00 1.790389199e+02 0.96 5.344048899e+01 6.563187569e+00 1.647802584e+02 0.98 4.956436999e+01 5.590745610e+00 1.517687326e+02 1.00 4.596041709e+01 4.739681814e+00 1.398823195e+02 1.02 4.261633517e+01 3.993179136e+00 1.290123884e+02 1.04 3.952021508e+01 3.336898737e+00 1.190620447e+02 1.06 3.665791631e+01 2.758602290e+00 1.098778159e+02 1.08 3.401414415e+01 2.247833117e+00 1.006654129e+02 1.10 3.157322160e+01 1.795647546e+00 9.146379971e+01 1.12 2.931962957e+01 1.394388090e+00 8.251005063e+01 1.14 2.723837337e+01 1.037491608e+00 7.396440465e+01 1.16 2.531521915e+01 7.193265098e-01 6.592898332e+01 1.18 2.353683447e+01 4.350548616e-01 5.846237608e+01 1.20 2.189085907e+01 1.805152779e-01 5.159102094e+01 1.22 2.036592532e+01 -4.787672587e-02 4.531804184e+01 1.24 1.895164386e+01 -2.532133720e-01 3.963006341e+01 1.26 1.763856548e+01 -4.381667832e-01 3.450243739e+01 1.28 1.641812772e+01 -6.050505184e-01 2.990321313e+01 1.30 1.528259287e+01 -7.558720184e-01 2.579612199e+01 1.32 1.422498140e+01 -8.923774937e-01 2.214279285e+01 1.34 1.323900452e+01 -1.016090296e+00 1.890436756e+01 1.36 1.231899820e+01 -1.128343762e+00 1.604265299e+01 1.38 1.145985982e+01 -1.230309421e+00 1.352091593e+01 1.40 1.065698888e+01 -1.323021181e+00 1.130440623e+01 1.42 9.906232158e+00 -1.407396099e+00 9.360675047e+00 1.44 9.203833482e+00 -1.484252369e+00 7.659739491e+00 1.46 8.546388034e+00 -1.554328573e+00 6.174135775e+00 1.48 7.930801617e+00 -1.618296375e+00 4.878891588e+00 1.50 7.354254837e+00 -1.676766009e+00 3.751442094e+00 1.52 6.814171068e+00 -1.730295877e+00 2.771509060e+00 1.54 6.308188170e+00 -1.779400971e+00 1.920956091e+00 1.56 5.834133729e+00 -1.824559845e+00 1.183631264e+00 1.58 5.390003498e+00 -1.866220265e+00 5.452050601e-01 1.60 4.973942613e+00 -1.904804685e+00 -6.991532406e-03 1.62 4.584229366e+00 -1.940718097e+00 -4.841239578e-01 1.64 4.219261192e+00 -1.974351151e+00 -8.960037601e-01 1.66 3.877542563e+00 -2.006079635e+00 -1.251229513e+00 1.68 3.557674605e+00 -2.036263209e+00 -1.557317467e+00 1.70 3.258346158e+00 -2.065243518e+00 -1.820821962e+00 1.72 2.978326078e+00 -2.093341675e+00 -2.047445458e+00 1.74 2.716456633e+00 -2.120855161e+00 -2.242138160e+00 1.76 2.471647785e+00 -2.148054195e+00 -2.409188076e+00 1.78 2.242872253e+00 -2.175177685e+00 -2.552301787e+00 1.80 2.029161228e+00 -2.202428886e+00 -2.674676553e+00 1.82 1.829600616e+00 -2.229970961e+00 -2.779064578e+00 1.84 1.643327737e+00 -2.257922692e+00 -2.867828641e+00 1.86 1.469528406e+00 -2.286354621e+00 -2.942992938e+00 1.88 1.307434306e+00 -2.315285988e+00 -3.006289148e+00 1.90 1.156320630e+00 -2.344682812e+00 -3.059195460e+00 1.92 1.015503926e+00 -2.374457523e+00 -3.102970808e+00 1.94 8.843401035e-01 -2.404470483e+00 -3.138684849e+00 1.96 7.622226007e-01 -2.434533678e+00 -3.167244128e+00 1.98 6.485806461e-01 -2.464416740e+00 -3.189414935e+00 2.00 5.428776241e-01 -2.493855256e+00 -3.205843216e+00 2.02 4.446095233e-01 -2.522561138e+00 -3.217071860e+00 2.04 3.533039128e-01 -2.550230458e+00 -3.223555765e+00 2.06 2.685218271e-01 -2.576527416e+00 -3.225674884e+00 2.08 1.898535494e-01 -2.601121558e+00 -3.223747986e+00 2.10 1.169150015e-01 -2.623718470e+00 -3.218060140e+00 2.12 4.934630950e-02 -2.644068639e+00 -3.208880312e+00 2.14 -1.319002562e-02 -2.661973800e+00 -3.196463067e+00 2.16 -7.101185140e-02 -2.677290441e+00 -3.181049242e+00 2.18 -1.244218035e-01 -2.689930309e+00 -3.162866597e+00 2.20 -1.737147306e-01 -2.699858094e+00 -3.142130428e+00 2.22 -2.191897577e-01 -2.707086710e+00 -3.119044162e+00 2.24 -2.611688387e-01 -2.711670847e+00 -3.093799923e+00 2.26 -3.000240883e-01 -2.713699477e+00 -3.066579069e+00 2.28 -3.362155781e-01 -2.713288042e+00 -3.037552713e+00 2.30 -3.703348244e-01 -2.710570907e+00 -3.006882211e+00 2.32 -4.031510392e-01 -2.705694533e+00 -2.974719632e+00 2.34 -4.356546636e-01 -2.698811624e+00 -2.941208209e+00 2.36 -4.690888690e-01 -2.690076399e+00 -2.906482761e+00 2.38 -5.049574059e-01 -2.679640951e+00 -2.870670103e+00 2.40 -5.449960100e-01 -2.667652615e+00 -2.833889425e+00 2.42 -5.910951556e-01 -2.654252198e+00 -2.796252669e+00 2.44 -6.451651469e-01 -2.639572899e+00 -2.757864871e+00 2.46 -7.089415580e-01 -2.623739781e+00 -2.718824496e+00 2.48 -7.837410685e-01 -2.606869879e+00 -2.679223756e+00 2.50 -8.701949729e-01 -2.589072279e+00 -2.639148909e+00 2.52 -9.680076265e-01 -2.570448117e+00 -2.598680549e+00 2.54 -1.075802970e+00 -2.551090969e+00 -2.557893879e+00 2.56 -1.191123260e+00 -2.531087303e+00 -2.516858972e+00 2.58 -1.310619978e+00 -2.510516940e+00 -2.475642308e+00 2.60 -1.430426631e+00 -2.489453513e+00 -2.434310160e+00 2.62 -1.546642136e+00 -2.467964895e+00 -2.392924399e+00 2.64 -1.655810356e+00 -2.446113603e+00 -2.351541571e+00 2.66 -1.755281107e+00 -2.423957166e+00 -2.310213259e+00 2.68 -1.843382926e+00 -2.401548459e+00 -2.268986419e+00 2.70 -1.919404313e+00 -2.378936013e+00 -2.227903696e+00 2.72 -1.983434617e+00 -2.356164299e+00 -2.187003729e+00 2.74 -2.036138115e+00 -2.333273991e+00 -2.146321435e+00 2.76 -2.078526167e+00 -2.310302216e+00 -2.105888286e+00 2.78 -2.111767710e+00 -2.287282787e+00 -2.065732565e+00 2.80 -2.137053077e+00 -2.264246432e+00 -2.025879617e+00 2.82 -2.155508765e+00 -2.241221005e+00 -1.986352083e+00 2.84 -2.168152433e+00 -2.218231698e+00 -1.947170131e+00 2.86 -2.175875743e+00 -2.195301236e+00 -1.908351666e+00 2.88 -2.179447740e+00 -2.172450070e+00 -1.869912540e+00 2.90 -2.179543453e+00 -2.149696552e+00 -1.831866744e+00 2.92 -2.176740408e+00 -2.127057110e+00 -1.794226593e+00 2.94 -2.171522390e+00 -2.104546403e+00 -1.757002905e+00 2.96 -2.164293733e+00 -2.082177469e+00 -1.720205160e+00 2.98 -2.155392202e+00 -2.059961862e+00 -1.683841654e+00 3.00 -2.145100131e+00 -2.037909780e+00 -1.647919645e+00 3.02 -2.133653856e+00 -2.016030176e+00 -1.612445484e+00 3.04 -2.121251587e+00 -1.994330865e+00 -1.577424731e+00 3.06 -2.108059915e+00 -1.972818622e+00 -1.542862270e+00 3.08 -2.094219172e+00 -1.951499268e+00 -1.508762403e+00 3.10 -2.079847840e+00 -1.930377752e+00 -1.475128939e+00 3.12 -2.065046162e+00 -1.909458223e+00 -1.441965267e+00 3.14 -2.049899111e+00 -1.888744099e+00 -1.409274425e+00 3.16 -2.034478842e+00 -1.868238130e+00 -1.377059150e+00 3.18 -2.018846701e+00 -1.847942453e+00 -1.345321924e+00 3.20 -2.003054900e+00 -1.827858651e+00 -1.314065008e+00 3.22 -1.987147899e+00 -1.807987796e+00 -1.283290469e+00 3.24 -1.971163563e+00 -1.788330499e+00 -1.253000198e+00 3.26 -1.955134121e+00 -1.768886952e+00 -1.223195915e+00 3.28 -1.939086977e+00 -1.749656969e+00 -1.193879181e+00 3.30 -1.923045393e+00 -1.730640021e+00 -1.165051387e+00 3.32 -1.907029056e+00 -1.711835275e+00 -1.136713752e+00 3.34 -1.891054576e+00 -1.693241621e+00 -1.108867309e+00 3.36 -1.875135889e+00 -1.674857707e+00 -1.081512893e+00 3.38 -1.859284621e+00 -1.656681963e+00 -1.054651123e+00 3.40 -1.843510387e+00 -1.638712628e+00 -1.028282380e+00 3.42 -1.827821056e+00 -1.620947776e+00 -1.002406796e+00 3.44 -1.812222976e+00 -1.603385335e+00 -9.770242268e-01 3.46 -1.796721169e+00 -1.586023109e+00 -9.521342383e-01 3.48 -1.781319509e+00 -1.568858794e+00 -9.277360873e-01 3.50 -1.766020865e+00 -1.551890000e+00 -9.038287062e-01 3.52 -1.750827241e+00 -1.535114260e+00 -8.804106895e-01 3.54 -1.735739887e+00 -1.518529049e+00 -8.574802820e-01 3.56 -1.720759406e+00 -1.502131797e+00 -8.350353699e-01 3.58 -1.705885848e+00 -1.485919895e+00 -8.130734754e-01 3.60 -1.691118786e+00 -1.469890713e+00 -7.915917525e-01 3.62 -1.676457397e+00 -1.454041605e+00 -7.705869873e-01 3.64 -1.661900524e+00 -1.438369917e+00 -7.500555998e-01 3.66 -1.647446737e+00 -1.422872998e+00 -7.299936492e-01 3.68 -1.633094382e+00 -1.407548206e+00 -7.103968414e-01 3.70 -1.618841634e+00 -1.392392911e+00 -6.912605386e-01 3.72 -1.604686536e+00 -1.377404503e+00 -6.725797721e-01 3.74 -1.590627036e+00 -1.362580400e+00 -6.543492556e-01 3.76 -1.576661023e+00 -1.347918044e+00 -6.365634017e-01 3.78 -1.562786356e+00 -1.333414914e+00 -6.192163387e-01 3.80 -1.549000886e+00 -1.319068521e+00 -6.023019291e-01 3.82 -1.535302485e+00 -1.304876419e+00 -5.858137893e-01 3.84 -1.521689059e+00 -1.290836200e+00 -5.697453097e-01 3.86 -1.508158570e+00 -1.276945499e+00 -5.540896752e-01 3.88 -1.494709044e+00 -1.263201998e+00 -5.388398864e-01 3.90 -1.481338589e+00 -1.249603423e+00 -5.239887807e-01 3.92 -1.468045399e+00 -1.236147549e+00 -5.095290532e-01 3.94 -1.454827763e+00 -1.222832197e+00 -4.954532775e-01 3.96 -1.441684071e+00 -1.209655239e+00 -4.817539257e-01 3.98 -1.428612817e+00 -1.196614594e+00 -4.684233888e-01 4.00 -1.415612602e+00 -1.183708232e+00 -4.554539952e-01 4.02 -1.402682136e+00 -1.170934171e+00 -4.428380294e-01 4.04 -1.389820234e+00 -1.158290477e+00 -4.305677497e-01 4.06 -1.377025822e+00 -1.145775268e+00 -4.186354046e-01 4.08 -1.364297928e+00 -1.133386708e+00 -4.070332486e-01 4.10 -1.351635686e+00 -1.121123008e+00 -3.957535572e-01 4.12 -1.339038329e+00 -1.108982430e+00 -3.847886408e-01 4.14 -1.326505190e+00 -1.096963278e+00 -3.741308572e-01 4.16 -1.314035691e+00 -1.085063904e+00 -3.637726237e-01 4.18 -1.301629348e+00 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