# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr # implementation = 2025--Sharifi-H--Cu-Cr--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 Cu Cu Cr Cu Cr Cr 0.02 4.954943043e+05 1.904572156e+04 6.540873203e+02 0.04 2.067715918e+05 8.815069544e+03 2.974270961e+02 0.06 1.175313404e+05 5.533832323e+03 1.817366538e+02 0.08 7.618510859e+04 3.949926366e+03 1.255085055e+02 0.10 5.320232879e+04 3.029847247e+03 9.282445045e+01 0.12 3.899033190e+04 2.433399875e+03 7.175739755e+01 0.14 2.956217573e+04 2.017178547e+03 5.722441042e+01 0.16 2.298867779e+04 1.710849383e+03 4.670291143e+01 0.18 1.823308975e+04 1.476146115e+03 3.880451606e+01 0.20 1.469336997e+04 1.290593962e+03 3.270530857e+01 0.22 1.199838587e+04 1.140184671e+03 2.788735627e+01 0.24 9.908314076e+03 1.015761285e+03 2.400993348e+01 0.26 8.262186709e+03 9.110984822e+02 2.084044988e+01 0.28 6.948548224e+03 8.218218523e+02 1.821516468e+01 0.30 5.888216958e+03 7.447701107e+02 1.601577310e+01 0.32 5.023710898e+03 6.776026364e+02 1.415486872e+01 0.34 4.312525978e+03 6.185494208e+02 1.256660780e+01 0.36 3.722734097e+03 5.662469754e+02 1.120054293e+01 0.38 3.230018814e+03 5.196275693e+02 1.001743918e+01 0.40 2.815634660e+03 4.778427333e+02 8.986373767e+00 0.42 2.464974559e+03 4.402093278e+02 8.082685975e+00 0.44 2.166544845e+03 4.061707304e+02 7.286499636e+00 0.46 1.911221691e+03 3.752684713e+02 6.581642675e+00 0.48 1.691704041e+03 3.471211767e+02 5.954845050e+00 0.50 1.502105674e+03 3.214086981e+02 5.395134479e+00 0.52 1.337648283e+03 2.978600233e+02 4.893376521e+00 0.54 1.194427931e+03 2.762439498e+02 4.441920000e+00 0.56 1.069235663e+03 2.563618090e+02 4.034320609e+00 0.58 9.594188230e+02 2.380417471e+02 3.665123775e+00 0.60 8.627727970e+02 2.211341783e+02 3.329692099e+00 0.62 7.774559690e+02 2.055081438e+02 3.024067164e+00 0.64 7.019225457e+02 1.910483761e+02 2.744858108e+00 0.66 6.348690383e+02 1.776529087e+02 2.489150853e+00 0.68 5.751914621e+02 1.652311213e+02 2.254433789e+00 0.70 5.219509113e+02 1.537021292e+02 2.038536539e+00 0.72 4.743456724e+02 1.429934468e+02 1.839579037e+00 0.74 4.316885815e+02 1.330398736e+02 1.655929091e+00 0.76 3.933885230e+02 1.237825603e+02 1.486166743e+00 0.78 3.589352330e+02 1.151682203e+02 1.329054155e+00 0.80 3.278867924e+02 1.071484616e+02 1.183510127e+00 0.82 2.998592632e+02 9.967921811e+01 1.048588357e+00 0.84 2.745180749e+02 9.272026198e+01 9.234588482e-01 0.86 2.515708458e+02 8.623478460e+01 8.073919681e-01 0.88 2.307613616e+02 8.018903436e+01 6.997446877e-01 0.90 2.118645162e+02 7.455200217e+01 5.999487002e-01 0.92 1.946820473e+02 6.929514775e+01 5.075001336e-01 0.94 1.790389199e+02 6.439215951e+01 4.219505962e-01 0.96 1.647802584e+02 5.981874406e+01 3.428993955e-01 0.98 1.517687326e+02 5.555244030e+01 2.699867544e-01 1.00 1.398823195e+02 5.157245489e+01 2.028878801e-01 1.02 1.290123884e+02 4.785951611e+01 1.413077949e-01 1.04 1.190620447e+02 4.439574358e+01 8.497681174e-02 1.06 1.098778159e+02 4.116453172e+01 3.603504935e-02 1.08 1.006654129e+02 3.815042961e+01 8.954065071e-02 1.10 9.146379971e+01 3.533081639e+01 2.495766069e-01 1.12 8.251005063e+01 3.266475728e+01 4.637947808e-01 1.14 7.396440465e+01 3.015889688e+01 6.957144645e-01 1.16 6.592898332e+01 2.781766024e+01 9.206616895e-01 1.18 5.846237608e+01 2.563938362e+01 1.122801048e+00 1.20 5.159102094e+01 2.361838788e+01 1.292822975e+00 1.22 4.531804184e+01 2.174651096e+01 1.426151944e+00 1.24 3.963006341e+01 2.001422036e+01 1.521570680e+00 1.26 3.450243739e+01 1.841140510e+01 1.580170272e+00 1.28 2.990321313e+01 1.692792321e+01 1.604552585e+00 1.30 2.579612199e+01 1.555396557e+01 1.598235746e+00 1.32 2.214279285e+01 1.428028329e+01 1.565216795e+00 1.34 1.890436756e+01 1.309831757e+01 1.509656407e+00 1.36 1.604265299e+01 1.200026433e+01 1.435657341e+00 1.38 1.352091593e+01 1.097907547e+01 1.347114597e+00 1.40 1.130440623e+01 1.002842849e+01 1.247619742e+00 1.42 9.360675047e+00 9.142679011e+00 1.140404641e+00 1.44 7.659739491e+00 8.316801714e+00 1.028310808e+00 1.46 6.174135775e+00 7.546326275e+00 9.137902971e-01 1.48 4.878891588e+00 6.827272569e+00 7.989196848e-01 1.50 3.751442094e+00 6.156088239e+00 6.854210409e-01 1.52 2.771509060e+00 5.529590607e+00 5.746890450e-01 1.54 1.920956091e+00 4.944913117e+00 4.678216929e-01 1.56 1.183631264e+00 4.399448507e+00 3.656524822e-01 1.58 5.452050601e-01 3.890813690e+00 2.687826353e-01 1.60 -6.991532406e-03 3.416824113e+00 1.776124476e-01 1.62 -4.841239578e-01 2.975464018e+00 9.237096793e-02 1.64 -8.960037601e-01 2.564861300e+00 1.314551209e-02 1.66 -1.251229513e+00 2.183266711e+00 -6.008779955e-02 1.68 -1.557317467e+00 1.829036892e+00 -1.274486061e-01 1.70 -1.820821962e+00 1.500620734e+00 -1.891338778e-01 1.72 -2.047445458e+00 1.196548564e+00 -2.453993303e-01 1.74 -2.242138160e+00 9.154236990e-01 -2.965431204e-01 1.76 -2.409188076e+00 6.559159470e-01 -3.428916752e-01 1.78 -2.552301787e+00 4.167584534e-01 -3.847875424e-01 1.80 -2.674676553e+00 1.967544943e-01 -4.225791055e-01 1.82 -2.779064578e+00 -5.235652063e-03 -4.566120088e-01 1.84 -2.867828641e+00 -1.903013054e-01 -4.872221490e-01 1.86 -2.942992938e+00 -3.594827412e-01 -5.147300807e-01 1.88 -3.006289148e+00 -5.137736757e-01 -5.394368620e-01 1.90 -3.059195460e+00 -6.541214983e-01 -5.616255060e-01 1.92 -3.102970808e+00 -7.814273727e-01 -5.815580806e-01 1.94 -3.138684849e+00 -8.965463828e-01 -5.994682287e-01 1.96 -3.167244128e+00 -1.000287777e+00 -6.155606982e-01 1.98 -3.189414935e+00 -1.093415342e+00 -6.300118584e-01 2.00 -3.205843216e+00 -1.176647937e+00 -6.429707218e-01 2.02 -3.217071860e+00 -1.250660187e+00 -6.545603692e-01 2.04 -3.223555765e+00 -1.316083501e+00 -6.648803042e-01 2.06 -3.225674884e+00 -1.373510011e+00 -6.740121939e-01 2.08 -3.223747986e+00 -1.423497961e+00 -6.820245590e-01 2.10 -3.218060140e+00 -1.466573826e+00 -6.889752681e-01 2.12 -3.208880312e+00 -1.503233829e+00 -6.949137513e-01 2.14 -3.196463067e+00 -1.533945414e+00 -6.998830095e-01 2.16 -3.181049242e+00 -1.559148662e+00 -7.039213940e-01 2.18 -3.162866597e+00 -1.579257655e+00 -7.070626140e-01 2.20 -3.142130428e+00 -1.594661793e+00 -7.093324765e-01 2.22 -3.119044162e+00 -1.605727047e+00 -7.107559744e-01 2.24 -3.093799923e+00 -1.612797173e+00 -7.113598625e-01 2.26 -3.066579069e+00 -1.616194869e+00 -7.111729050e-01 2.28 -3.037552713e+00 -1.616222882e+00 -7.102259366e-01 2.30 -3.006882211e+00 -1.613165069e+00 -7.085517642e-01 2.32 -2.974719632e+00 -1.607287409e+00 -7.061849388e-01 2.34 -2.941208209e+00 -1.598838967e+00 -7.031614307e-01 2.36 -2.906482761e+00 -1.588052817e+00 -6.995182407e-01 2.38 -2.870670103e+00 -1.575146921e+00 -6.952929821e-01 2.40 -2.833889425e+00 -1.560324964e+00 -6.905234599e-01 2.42 -2.796252669e+00 -1.543777148e+00 -6.852472729e-01 2.44 -2.757864871e+00 -1.525680952e+00 -6.795014575e-01 2.46 -2.718824496e+00 -1.506201851e+00 -6.733221834e-01 2.48 -2.679223756e+00 -1.485493996e+00 -6.667445099e-01 2.50 -2.639148909e+00 -1.463701110e+00 -6.598022274e-01 2.52 -2.598680549e+00 -1.440962147e+00 -6.525305275e-01 2.54 -2.557893879e+00 -1.417410634e+00 -6.449677869e-01 2.56 -2.516858972e+00 -1.393169430e+00 -6.371499223e-01 2.58 -2.475642308e+00 -1.368351245e+00 -6.291098966e-01 2.60 -2.434310160e+00 -1.343059373e+00 -6.208779224e-01 2.62 -2.392924399e+00 -1.317388374e+00 -6.124816643e-01 2.64 -2.351541571e+00 -1.291424706e+00 -6.039464355e-01 2.66 -2.310213259e+00 -1.265247320e+00 -5.952953852e-01 2.68 -2.268986419e+00 -1.238928205e+00 -5.865496741e-01 2.70 -2.227903696e+00 -1.212532910e+00 -5.777286385e-01 2.72 -2.187003729e+00 -1.186121011e+00 -5.688499423e-01 2.74 -2.146321435e+00 -1.159746565e+00 -5.599297156e-01 2.76 -2.105888286e+00 -1.133458519e+00 -5.509826833e-01 2.78 -2.065732565e+00 -1.107301098e+00 -5.420222821e-01 2.80 -2.025879617e+00 -1.081314159e+00 -5.330607676e-01 2.82 -1.986352083e+00 -1.055533531e+00 -5.241093128e-01 2.84 -1.947170131e+00 -1.029991319e+00 -5.151780975e-01 2.86 -1.908351666e+00 -1.004716194e+00 -5.062763906e-01 2.88 -1.869912540e+00 -9.797336570e-01 -4.974126251e-01 2.90 -1.831866744e+00 -9.550662877e-01 -4.885944668e-01 2.92 -1.794226593e+00 -9.307339727e-01 -4.798288771e-01 2.94 -1.757002905e+00 -9.067541167e-01 -4.711221704e-01 2.96 -1.720205160e+00 -8.831418388e-01 -4.624800668e-01 2.98 -1.683841654e+00 -8.599101538e-01 -4.539077402e-01 3.00 -1.647919645e+00 -8.370701403e-01 -4.454098621e-01 3.02 -1.612445484e+00 -8.146310965e-01 -4.369906423e-01 3.04 -1.577424731e+00 -7.926006850e-01 -4.286538655e-01 3.06 -1.542862270e+00 -7.709850666e-01 -4.204029250e-01 3.08 -1.508762403e+00 -7.497890261e-01 -4.122408540e-01 3.10 -1.475128939e+00 -7.290160878e-01 -4.041703538e-01 3.12 -1.441965267e+00 -7.086686247e-01 -3.961938197e-01 3.14 -1.409274425e+00 -6.887479590e-01 -3.883133648e-01 3.16 -1.377059150e+00 -6.692544566e-01 -3.805308422e-01 3.18 -1.345321924e+00 -6.501876147e-01 -3.728478646e-01 3.20 -1.314065008e+00 -6.315461433e-01 -3.652658231e-01 3.22 -1.283290469e+00 -6.133280409e-01 -3.577859038e-01 3.24 -1.253000198e+00 -5.955306646e-01 -3.504091037e-01 3.26 -1.223195915e+00 -5.781507954e-01 -3.431362447e-01 3.28 -1.193879181e+00 -5.611846978e-01 -3.359679868e-01 3.30 -1.165051387e+00 -5.446281751e-01 -3.289048402e-01 3.32 -1.136713752e+00 -5.284766209e-01 -3.219471767e-01 3.34 -1.108867309e+00 -5.127250654e-01 -3.150952396e-01 3.36 -1.081512893e+00 -4.973682188e-01 -3.083491535e-01 3.38 -1.054651123e+00 -4.824005113e-01 -3.017089329e-01 3.40 -1.028282380e+00 -4.678161291e-01 -2.951744903e-01 3.42 -1.002406796e+00 -4.536090483e-01 -2.887456438e-01 3.44 -9.770242268e-01 -4.397730653e-01 -2.824221239e-01 3.46 -9.521342383e-01 -4.263018254e-01 -2.762035800e-01 3.48 -9.277360873e-01 -4.131888484e-01 -2.700895865e-01 3.50 -9.038287062e-01 -4.004275524e-01 -2.640796482e-01 3.52 -8.804106895e-01 -3.880112756e-01 -2.581732051e-01 3.54 -8.574802820e-01 -3.759332960e-01 -2.523696381e-01 3.56 -8.350353699e-01 -3.641868494e-01 -2.466682725e-01 3.58 -8.130734754e-01 -3.527651462e-01 -2.410683828e-01 3.60 -7.915917525e-01 -3.416613861e-01 -2.355691962e-01 3.62 -7.705869873e-01 -3.308687720e-01 -2.301698966e-01 3.64 -7.500555998e-01 -3.203805224e-01 -2.248696276e-01 3.66 -7.299936492e-01 -3.101898824e-01 -2.196674961e-01 3.68 -7.103968414e-01 -3.002901342e-01 -2.145625748e-01 3.70 -6.912605386e-01 -2.906746061e-01 -2.095539057e-01 3.72 -6.725797721e-01 -2.813366807e-01 -2.046405019e-01 3.74 -6.543492556e-01 -2.722698024e-01 -1.998213507e-01 3.76 -6.365634017e-01 -2.634674841e-01 -1.950954157e-01 3.78 -6.192163387e-01 -2.549233129e-01 -1.904616390e-01 3.80 -6.023019291e-01 -2.466309555e-01 -1.859189432e-01 3.82 -5.858137893e-01 -2.385841629e-01 -1.814662337e-01 3.84 -5.697453097e-01 -2.307767745e-01 -1.771024001e-01 3.86 -5.540896752e-01 -2.232027212e-01 -1.728263181e-01 3.88 -5.388398864e-01 -2.158560292e-01 -1.686368514e-01 3.90 -5.239887807e-01 -2.087308220e-01 -1.645328529e-01 3.92 -5.095290532e-01 -2.018213231e-01 -1.605131664e-01 3.94 -4.954532775e-01 -1.951218574e-01 -1.565766279e-01 3.96 -4.817539257e-01 -1.886268532e-01 -1.527220669e-01 3.98 -4.684233888e-01 -1.823308430e-01 -1.489483078e-01 4.00 -4.554539952e-01 -1.762284647e-01 -1.452541712e-01 4.02 -4.428380294e-01 -1.703144619e-01 -1.416384744e-01 4.04 -4.305677497e-01 -1.645836848e-01 -1.381000333e-01 4.06 -4.186354046e-01 -1.590310898e-01 -1.346376629e-01 4.08 -4.070332486e-01 -1.536517399e-01 -1.312501784e-01 4.10 -3.957535572e-01 -1.484408042e-01 -1.279363961e-01 4.12 -3.847886408e-01 -1.433935579e-01 -1.246951342e-01 4.14 -3.741308572e-01 -1.385053811e-01 -1.215252138e-01 4.16 -3.637726237e-01 -1.337717589e-01 -1.184254596e-01 4.18 -3.537064282e-01 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