# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ti # implementation = 2025--Sharifi-H--Cu-Ti--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 Ti Ti Cu Ti 0.02 4.954943043e+05 6.954133520e+02 1.807710182e+04 0.04 2.067715918e+05 3.373286853e+02 7.905300973e+03 0.06 1.175313404e+05 2.202533478e+02 4.679474139e+03 0.08 7.618510859e+04 1.626789209e+02 3.147732753e+03 0.10 5.320232879e+04 1.286863023e+02 2.276756560e+03 0.12 3.899033190e+04 1.063475260e+02 1.726524435e+03 0.14 2.956217573e+04 9.057880543e+01 1.353794992e+03 0.16 2.298867779e+04 7.885673538e+01 1.088389544e+03 0.18 1.823308975e+04 6.979212447e+01 8.921883953e+02 0.20 1.469336997e+04 6.256026894e+01 7.428551755e+02 0.22 1.199838587e+04 5.664246515e+01 6.265123366e+02 0.24 9.908314076e+03 5.169723187e+01 5.341263380e+02 0.26 8.262186709e+03 4.749123708e+01 4.595883818e+02 0.28 6.948548224e+03 4.386001067e+01 3.986340716e+02 0.30 5.888216958e+03 4.068452969e+01 3.482059796e+02 0.32 5.023710898e+03 3.787667941e+01 3.060615232e+02 0.34 4.312525978e+03 3.536991671e+01 2.705232332e+02 0.36 3.722734097e+03 3.311310267e+01 2.403149637e+02 0.38 3.230018814e+03 3.106631805e+01 2.144514149e+02 0.40 2.815634660e+03 2.919796226e+01 1.921619076e+02 0.42 2.464974559e+03 2.748270276e+01 1.728367070e+02 0.44 2.166544845e+03 2.589999717e+01 1.559884517e+02 0.46 1.911221691e+03 2.443301251e+01 1.412240182e+02 0.48 1.691704041e+03 2.306782304e+01 1.282236801e+02 0.50 1.502105674e+03 2.179280593e+01 1.167254423e+02 0.52 1.337648283e+03 2.059818143e+01 1.065131452e+02 0.54 1.194427931e+03 1.947565845e+01 9.740732097e+01 0.56 1.069235663e+03 1.841815845e+01 8.925809094e+01 0.58 9.594188230e+02 1.741959864e+01 8.193960958e+01 0.60 8.627727970e+02 1.647471982e+01 7.534567273e+01 0.62 7.774559690e+02 1.557894875e+01 6.938622253e+01 0.64 7.019225457e+02 1.472828717e+01 6.398454984e+01 0.66 6.348690383e+02 1.391922168e+01 5.907503489e+01 0.68 5.751914621e+02 1.314865000e+01 5.460131555e+01 0.70 5.219509113e+02 1.241382040e+01 5.051479386e+01 0.72 4.743456724e+02 1.171228147e+01 4.677340942e+01 0.74 4.316885815e+02 1.104184029e+01 4.334063019e+01 0.76 3.933885230e+02 1.040052748e+01 4.018461676e+01 0.78 3.589352330e+02 9.786567785e+00 3.727752691e+01 0.80 3.278867924e+02 9.198355166e+00 3.459493614e+01 0.82 2.998592632e+02 8.634431727e+00 3.211535152e+01 0.84 2.745180749e+02 8.093469684e+00 2.982113994e+01 0.86 2.515708458e+02 7.574255981e+00 2.835446255e+01 0.88 2.307613616e+02 7.075679039e+00 2.902966579e+01 0.90 2.118645162e+02 6.596717331e+00 3.106261587e+01 0.92 1.946820473e+02 6.136429518e+00 3.379182897e+01 0.94 1.790389199e+02 5.693945848e+00 3.674709685e+01 0.96 1.647802584e+02 5.268460691e+00 3.960473488e+01 0.98 1.517687326e+02 4.859226001e+00 4.215221093e+01 1.00 1.398823195e+02 4.465545585e+00 4.426029405e+01 1.02 1.290123884e+02 4.086770074e+00 4.586125626e+01 1.04 1.190620447e+02 3.722292535e+00 4.693187814e+01 1.06 1.098778159e+02 3.375393588e+00 4.748030102e+01 1.08 1.006654129e+02 3.125213582e+00 4.753594063e+01 1.10 9.146379971e+01 2.975852798e+00 4.714181728e+01 1.12 8.251005063e+01 2.895310629e+00 4.634880373e+01 1.14 7.396440465e+01 2.858122200e+00 4.521137608e+01 1.16 6.592898332e+01 2.844248542e+00 4.378453971e+01 1.18 5.846237608e+01 2.838204793e+00 4.212166917e+01 1.20 5.159102094e+01 2.828304691e+00 4.027304980e+01 1.22 4.531804184e+01 2.806007567e+00 3.828495678e+01 1.24 3.963006341e+01 2.765357191e+00 3.619913661e+01 1.26 3.450243739e+01 2.702500241e+00 3.405258836e+01 1.28 2.990321313e+01 2.615275187e+00 3.187756257e+01 1.30 2.579612199e+01 2.502863215e+00 2.970171121e+01 1.32 2.214279285e+01 2.365492715e+00 2.754834122e+01 1.34 1.890436756e+01 2.204190950e+00 2.543673978e+01 1.36 1.604265299e+01 2.020576632e+00 2.338253359e+01 1.38 1.352091593e+01 1.816687721e+00 2.139806357e+01 1.40 1.130440623e+01 1.594839920e+00 1.949275911e+01 1.42 9.360675047e+00 1.357511381e+00 1.767350130e+01 1.44 7.659739491e+00 1.107249919e+00 1.594496799e+01 1.46 6.174135775e+00 8.465994421e-01 1.430995469e+01 1.48 4.878891588e+00 5.780426412e-01 1.276966948e+01 1.50 3.751442094e+00 3.039574459e-01 1.132400012e+01 1.52 2.771509060e+00 2.658497404e-02 9.971753032e+00 1.54 1.920956091e+00 -2.519929042e-01 8.710865388e+00 1.56 1.183631264e+00 -5.298680809e-01 7.538590984e+00 1.58 5.452050601e-01 -8.053142882e-01 6.451661730e+00 1.60 -6.991532406e-03 -1.076789893e+00 5.446426729e+00 1.62 -4.841239578e-01 -1.342936558e+00 4.518970638e+00 1.64 -8.960037601e-01 -1.602574650e+00 3.665213499e+00 1.66 -1.251229513e+00 -1.854696122e+00 2.880993950e+00 1.68 -1.557317467e+00 -2.098455587e+00 2.162137662e+00 1.70 -1.820821962e+00 -2.333160086e+00 1.504512864e+00 1.72 -2.047445458e+00 -2.558257986e+00 9.040745484e-01 1.74 -2.242138160e+00 -2.773327430e+00 3.568989459e-01 1.76 -2.409188076e+00 -2.978064589e+00 -1.407903759e-01 1.78 -2.552301787e+00 -3.172271981e+00 -5.926035295e-01 1.80 -2.674676553e+00 -3.355847063e+00 -1.001971272e+00 1.82 -2.779064578e+00 -3.528771197e+00 -1.372136602e+00 1.84 -2.867828641e+00 -3.691099157e+00 -1.706142561e+00 1.86 -2.942992938e+00 -3.842949221e+00 -2.006834498e+00 1.88 -3.006289148e+00 -3.984493896e+00 -2.276871848e+00 1.90 -3.059195460e+00 -4.115951344e+00 -2.518732084e+00 1.92 -3.102970808e+00 -4.237577491e+00 -2.734715983e+00 1.94 -3.138684849e+00 -4.349658822e+00 -2.926954194e+00 1.96 -3.167244128e+00 -4.452505875e+00 -3.097414725e+00 1.98 -3.189414935e+00 -4.546447386e+00 -3.247911183e+00 2.00 -3.205843216e+00 -4.631825067e+00 -3.380112940e+00 2.02 -3.217071860e+00 -4.708988997e+00 -3.495557194e+00 2.04 -3.223555765e+00 -4.778293569e+00 -3.595659520e+00 2.06 -3.225674884e+00 -4.840093977e+00 -3.681723349e+00 2.08 -3.223747986e+00 -4.894743163e+00 -3.754948713e+00 2.10 -3.218060140e+00 -4.942589068e+00 -3.816440319e+00 2.12 -3.208880312e+00 -4.983972621e+00 -3.867214970e+00 2.14 -3.196463067e+00 -5.019226057e+00 -3.908208426e+00 2.16 -3.181049242e+00 -5.048671458e+00 -3.940281727e+00 2.18 -3.162866597e+00 -5.072619601e+00 -3.964227017e+00 2.20 -3.142130428e+00 -5.091369074e+00 -3.980772924e+00 2.22 -3.119044162e+00 -5.105205634e+00 -3.990589522e+00 2.24 -3.093799923e+00 -5.114401778e+00 -3.994292895e+00 2.26 -3.066579069e+00 -5.119216497e+00 -3.992449366e+00 2.28 -3.037552713e+00 -5.119895193e+00 -3.985579381e+00 2.30 -3.006882211e+00 -5.116669732e+00 -3.974161098e+00 2.32 -2.974719632e+00 -5.109758860e+00 -3.958633694e+00 2.34 -2.941208209e+00 -5.099370560e+00 -3.939400413e+00 2.36 -2.906482761e+00 -5.085704123e+00 -3.916831371e+00 2.38 -2.870670103e+00 -5.068950572e+00 -3.891266147e+00 2.40 -2.833889425e+00 -5.049292959e+00 -3.863016154e+00 2.42 -2.796252669e+00 -5.026906646e+00 -3.832366829e+00 2.44 -2.757864871e+00 -5.001959579e+00 -3.799579639e+00 2.46 -2.718824496e+00 -4.974612548e+00 -3.764893918e+00 2.48 -2.679223756e+00 -4.945019448e+00 -3.728528556e+00 2.50 -2.639148909e+00 -4.913327519e+00 -3.690683531e+00 2.52 -2.598680549e+00 -4.879677588e+00 -3.651541309e+00 2.54 -2.557893879e+00 -4.844204299e+00 -3.611268046e+00 2.56 -2.516858972e+00 -4.807036335e+00 -3.570014366e+00 2.58 -2.475642308e+00 -4.768296637e+00 -3.527916774e+00 2.60 -2.434310160e+00 -4.728102613e+00 -3.485098774e+00 2.62 -2.392924399e+00 -4.686566338e+00 -3.441671704e+00 2.64 -2.351541571e+00 -4.643794755e+00 -3.397735472e+00 2.66 -2.310213259e+00 -4.599889863e+00 -3.353379215e+00 2.68 -2.268986419e+00 -4.554948904e+00 -3.308681891e+00 2.70 -2.227903696e+00 -4.509064541e+00 -3.263712799e+00 2.72 -2.187003729e+00 -4.462325034e+00 -3.218532050e+00 2.74 -2.146321435e+00 -4.414814404e+00 -3.173190989e+00 2.76 -2.105888286e+00 -4.366612603e+00 -3.127732584e+00 2.78 -2.065732565e+00 -4.317795666e+00 -3.082191792e+00 2.80 -2.025879617e+00 -4.268435868e+00 -3.036595908e+00 2.82 -1.986352083e+00 -4.218601872e+00 -2.990964920e+00 2.84 -1.947170131e+00 -4.168358870e+00 -2.945311873e+00 2.86 -1.908351666e+00 -4.117768725e+00 -2.899643265e+00 2.88 -1.869912540e+00 -4.066890102e+00 -2.853959483e+00 2.90 -1.831866744e+00 -4.015778603e+00 -2.808255297e+00 2.92 -1.794226593e+00 -3.964486886e+00 -2.762520434e+00 2.94 -1.757002905e+00 -3.913069046e+00 -2.716740226e+00 2.96 -1.720205160e+00 -3.861592177e+00 -2.670896368e+00 2.98 -1.683841654e+00 -3.810121641e+00 -2.624967789e+00 3.00 -1.647919645e+00 -3.758716939e+00 -2.578931625e+00 3.02 -1.612445484e+00 -3.707432161e+00 -2.532764328e+00 3.04 -1.577424731e+00 -3.656316393e+00 -2.486442871e+00 3.06 -1.542862270e+00 -3.605414104e+00 -2.439946061e+00 3.08 -1.508762403e+00 -3.554765500e+00 -2.393255926e+00 3.10 -1.475128939e+00 -3.504406851e+00 -2.346359137e+00 3.12 -1.441965267e+00 -3.454370806e+00 -2.299248432e+00 3.14 -1.409274425e+00 -3.404686668e+00 -2.251923980e+00 3.16 -1.377059150e+00 -3.355380664e+00 -2.204394622e+00 3.18 -1.345321924e+00 -3.306476188e+00 -2.156678925e+00 3.20 -1.314065008e+00 -3.257994029e+00 -2.108805976e+00 3.22 -1.283290469e+00 -3.209952581e+00 -2.060815855e+00 3.24 -1.253000198e+00 -3.162368038e+00 -2.012759731e+00 3.26 -1.223195915e+00 -3.115254575e+00 -1.964699542e+00 3.28 -1.193879181e+00 -3.068624517e+00 -1.916707253e+00 3.30 -1.165051387e+00 -3.022488492e+00 -1.868863694e+00 3.32 -1.136713752e+00 -2.976855578e+00 -1.821257007e+00 3.34 -1.108867309e+00 -2.931733431e+00 -1.773980792e+00 3.36 -1.081512893e+00 -2.887128414e+00 -1.727132004e+00 3.38 -1.054651123e+00 -2.843045707e+00 -1.680808724e+00 3.40 -1.028282380e+00 -2.799489413e+00 -1.635107900e+00 3.42 -1.002406796e+00 -2.756462657e+00 -1.590123169e+00 3.44 -9.770242268e-01 -2.713967676e+00 -1.545942857e+00 3.46 -9.521342383e-01 -2.672005899e+00 -1.502648236e+00 3.48 -9.277360873e-01 -2.630578031e+00 -1.460312099e+00 3.50 -9.038287062e-01 -2.589684116e+00 -1.418997694e+00 3.52 -8.804106895e-01 -2.549323610e+00 -1.378758018e+00 3.54 -8.574802820e-01 -2.509495437e+00 -1.339635479e+00 3.56 -8.350353699e-01 -2.470198050e+00 -1.301661878e+00 3.58 -8.130734754e-01 -2.431429478e+00 -1.264858700e+00 3.60 -7.915917525e-01 -2.393187376e+00 -1.229237630e+00 3.62 -7.705869873e-01 -2.355469071e+00 -1.194801265e+00 3.64 -7.500555998e-01 -2.318271596e+00 -1.161543970e+00 3.66 -7.299936492e-01 -2.281591734e+00 -1.129452802e+00 3.68 -7.103968414e-01 -2.245426045e+00 -1.098508493e+00 3.70 -6.912605386e-01 -2.209770898e+00 -1.068686424e+00 3.72 -6.725797721e-01 -2.174622496e+00 -1.039957573e+00 3.74 -6.543492556e-01 -2.139976899e+00 -1.012289417e+00 3.76 -6.365634017e-01 -2.105830042e+00 -9.856467596e-01 3.78 -6.192163387e-01 -2.072177750e+00 -9.599924799e-01 3.80 -6.023019291e-01 -2.039015755e+00 -9.352882032e-01 3.82 -5.858137893e-01 -2.006339700e+00 -9.114948809e-01 3.84 -5.697453097e-01 -1.974145150e+00 -8.885732879e-01 3.86 -5.540896752e-01 -1.942427597e+00 -8.664844418e-01 3.88 -5.388398864e-01 -1.911182465e+00 -8.451899470e-01 3.90 -5.239887807e-01 -1.880405111e+00 -8.246522728e-01 3.92 -5.095290532e-01 -1.850090830e+00 -8.048349716e-01 3.94 -4.954532775e-01 -1.820234853e+00 -7.857028438e-01 3.96 -4.817539257e-01 -1.790832346e+00 -7.672220584e-01 3.98 -4.684233888e-01 -1.761878404e+00 -7.493602341e-01 4.00 -4.554539952e-01 -1.733368034e+00 -7.320864877e-01 4.02 -4.428380294e-01 -1.705296125e+00 -7.153714562e-01 4.04 -4.305677497e-01 -1.677657385e+00 -6.991872956e-01 4.06 -4.186354046e-01 -1.650446233e+00 -6.835076633e-01 4.08 -4.070332486e-01 -1.623656597e+00 -6.683076857e-01 4.10 -3.957535572e-01 -1.597281546e+00 -6.535639149e-01 4.12 -3.847886408e-01 -1.571312621e+00 -6.392542786e-01 4.14 -3.741308572e-01 -1.545738573e+00 -6.253580229e-01 4.16 -3.637726237e-01 -1.520542945e+00 -6.118556521e-01 4.18 -3.537064282e-01 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