# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Ti # implementation = 2025--Sharifi-H--Ni-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 Ni Ni Ni Ti Ti Ti 0.02 4.627988409e+05 1.755889355e+04 6.954133520e+02 0.04 1.934542832e+05 7.730343560e+03 3.373286853e+02 0.06 1.101353242e+05 4.609263256e+03 2.202533478e+02 0.08 7.150221648e+04 3.124598520e+03 1.626789209e+02 0.10 5.001136161e+04 2.278483070e+03 1.286863023e+02 0.12 3.671185755e+04 1.742500055e+03 1.063475260e+02 0.14 2.788203775e+04 1.378264378e+03 9.057880543e+01 0.16 2.172048195e+04 1.117958952e+03 7.885673538e+01 0.18 1.725883939e+04 9.247365684e+02 6.979212447e+01 0.20 1.393465691e+04 7.770000151e+02 6.256026894e+01 0.22 1.140112974e+04 6.613265741e+02 5.664246515e+01 0.24 9.434101450e+03 5.689755195e+02 5.169723187e+01 0.26 7.883078369e+03 4.940334956e+02 4.749123708e+01 0.28 6.643823836e+03 4.323704098e+02 4.386001067e+01 0.30 5.642257180e+03 3.810233024e+02 4.068452969e+01 0.32 4.824576857e+03 3.378172894e+02 3.787667941e+01 0.34 4.150981824e+03 3.011241328e+02 3.536991671e+01 0.36 3.591559458e+03 2.697038848e+02 3.311310267e+01 0.38 3.123516198e+03 2.425980712e+02 3.106631805e+01 0.40 2.729270784e+03 2.190559873e+02 2.919796226e+01 0.42 2.395115433e+03 1.984827933e+02 2.748270276e+01 0.44 2.110257711e+03 1.804022147e+02 2.589999717e+01 0.46 1.866125251e+03 1.644293306e+02 2.443301251e+01 0.48 1.655854062e+03 1.502504153e+02 2.306782304e+01 0.50 1.473906825e+03 1.376077819e+02 2.179280593e+01 0.52 1.315785606e+03 1.262882726e+02 2.059818143e+01 0.54 1.177813160e+03 1.161144078e+02 1.947565845e+01 0.56 1.056964878e+03 1.069375100e+02 1.841815845e+01 0.58 9.507388162e+02 9.863232328e+01 1.741959864e+01 0.60 8.570541847e+02 9.109275739e+01 1.647471982e+01 0.62 7.741715794e+02 8.422850057e+01 1.557894875e+01 0.64 7.006299394e+02 7.796230617e+01 1.472828717e+01 0.66 6.351963020e+02 7.222780021e+01 1.391922168e+01 0.68 5.768256025e+02 6.696770284e+01 1.314865000e+01 0.70 5.246283262e+02 6.213237706e+01 1.241382040e+01 0.72 4.778442944e+02 5.767863599e+01 1.171228147e+01 0.74 4.358213702e+02 5.356876047e+01 1.104184029e+01 0.76 3.979980540e+02 4.976972277e+01 1.040052748e+01 0.78 3.638891798e+02 4.650861517e+01 9.786567785e+00 0.80 3.330741409e+02 4.707442179e+01 9.198355166e+00 0.82 3.051871291e+02 5.093200490e+01 8.634431727e+00 0.84 2.799090185e+02 5.653282195e+01 8.093469684e+00 0.86 2.569606004e+02 6.278349421e+01 7.574255981e+00 0.88 2.360969052e+02 6.893501043e+01 7.075679039e+00 0.90 2.171024320e+02 7.449743998e+01 6.596717331e+00 0.92 1.997871246e+02 7.917342608e+01 6.136429518e+00 0.94 1.839829582e+02 8.280651033e+01 5.693945848e+00 0.96 1.695410437e+02 8.534127555e+01 5.268460691e+00 0.98 1.563291582e+02 8.679277487e+01 4.859226001e+00 1.00 1.442296309e+02 8.722328493e+01 4.465545585e+00 1.02 1.331250128e+02 8.672482864e+01 4.086770074e+00 1.04 1.227064231e+02 8.540619166e+01 3.722292535e+00 1.06 1.128558849e+02 8.338344970e+01 3.375393588e+00 1.08 1.035530988e+02 8.077320952e+01 3.125213582e+00 1.10 9.478192872e+01 7.768793475e+01 2.975852798e+00 1.12 8.652852875e+01 7.423286271e+01 2.895310629e+00 1.14 7.878000427e+01 7.050411603e+01 2.858122200e+00 1.16 7.152347279e+01 6.658770721e+01 2.844248542e+00 1.18 6.474544683e+01 6.255919114e+01 2.838204793e+00 1.20 5.843146989e+01 5.848378049e+01 2.828304691e+00 1.22 5.256594699e+01 5.441678257e+01 2.806007567e+00 1.24 4.713211923e+01 5.040424294e+01 2.765357191e+00 1.26 4.211214161e+01 4.648371660e+01 2.702500241e+00 1.28 3.748723073e+01 4.268510373e+01 2.615275187e+00 1.30 3.323785540e+01 3.903150240e+01 2.502863215e+00 1.32 2.934394994e+01 3.554004934e+01 2.365492715e+00 1.34 2.578513409e+01 3.222272372e+01 2.204190950e+00 1.36 2.254092813e+01 2.908709947e+01 2.020576632e+00 1.38 1.959095496e+01 2.613703885e+01 1.816687721e+00 1.40 1.691512357e+01 2.337332075e+01 1.594839920e+00 1.42 1.449379077e+01 2.079420341e+01 1.357511381e+00 1.44 1.230789933e+01 1.839592295e+01 1.107249919e+00 1.46 1.033909233e+01 1.617312925e+01 8.465994421e-01 1.48 8.569804248e+00 1.411926394e+01 5.780426412e-01 1.50 6.983329915e+00 1.222688434e+01 3.039574459e-01 1.52 5.563873368e+00 1.048793828e+01 2.658497404e-02 1.54 4.296578166e+00 8.893994681e+00 -2.519929042e-01 1.56 3.167541537e+00 7.436434523e+00 -5.298680809e-01 1.58 2.163814621e+00 6.106606898e+00 -8.053142882e-01 1.60 1.273390540e+00 4.895954590e+00 -1.076789893e+00 1.62 4.851827098e-01 3.796113122e+00 -1.342936558e+00 1.64 -2.110048446e-01 2.798987114e+00 -1.602574650e+00 1.66 -8.245136511e-01 1.896807179e+00 -1.854696122e+00 1.68 -1.363871482e+00 1.082170545e+00 -2.098455587e+00 1.70 -1.836836508e+00 3.480680021e-01 -2.333160086e+00 1.72 -2.250443662e+00 -3.121004867e-01 -2.558257986e+00 1.74 -2.611051967e+00 -9.045192695e-01 -2.773327430e+00 1.76 -2.924392267e+00 -1.434957983e+00 -2.978064589e+00 1.78 -3.195614473e+00 -1.908778585e+00 -3.172271981e+00 1.80 -3.429333743e+00 -2.330947260e+00 -3.355847063e+00 1.82 -3.629675025e+00 -2.706048276e+00 -3.528771197e+00 1.84 -3.800315739e+00 -3.038300886e+00 -3.691099157e+00 1.86 -3.944526367e+00 -3.331578229e+00 -3.842949221e+00 1.88 -4.065208808e+00 -3.589427353e+00 -3.984493896e+00 1.90 -4.164932226e+00 -3.815091359e+00 -4.115951344e+00 1.92 -4.245966471e+00 -4.011535071e+00 -4.237577491e+00 1.94 -4.310313064e+00 -4.181468702e+00 -4.349658822e+00 1.96 -4.359733686e+00 -4.327369046e+00 -4.452505875e+00 1.98 -4.395776385e+00 -4.451498955e+00 -4.546447386e+00 2.00 -4.419799502e+00 -4.555925192e+00 -4.631825067e+00 2.02 -4.432996272e+00 -4.642534778e+00 -4.708988997e+00 2.04 -4.436437131e+00 -4.713050038e+00 -4.778293569e+00 2.06 -4.431100446e+00 -4.769042370e+00 -4.840093977e+00 2.08 -4.417881444e+00 -4.811944176e+00 -4.894743163e+00 2.10 -4.397599060e+00 -4.843055710e+00 -4.942589068e+00 2.12 -4.371002213e+00 -4.863559890e+00 -4.983972621e+00 2.14 -4.338775575e+00 -4.874535087e+00 -5.019226057e+00 2.16 -4.301544884e+00 -4.876963887e+00 -5.048671458e+00 2.18 -4.259881798e+00 -4.871741108e+00 -5.072619601e+00 2.20 -4.214308381e+00 -4.859681169e+00 -5.091369074e+00 2.22 -4.165301200e+00 -4.841524868e+00 -5.105205634e+00 2.24 -4.113295100e+00 -4.817945591e+00 -5.114401778e+00 2.26 -4.058686664e+00 -4.789555035e+00 -5.119216497e+00 2.28 -4.001837390e+00 -4.756908448e+00 -5.119895193e+00 2.30 -3.943076599e+00 -4.720509448e+00 -5.116669732e+00 2.32 -3.882704111e+00 -4.680814451e+00 -5.109758860e+00 2.34 -3.820992693e+00 -4.638236728e+00 -5.099370560e+00 2.36 -3.758190304e+00 -4.593150135e+00 -5.085704123e+00 2.38 -3.694522150e+00 -4.545892540e+00 -5.068950572e+00 2.40 -3.630192574e+00 -4.496768960e+00 -5.049292959e+00 2.42 -3.565386782e+00 -4.446054030e+00 -5.026906646e+00 2.44 -3.500272426e+00 -4.393963983e+00 -5.001959579e+00 2.46 -3.435001060e+00 -4.340645186e+00 -4.974612548e+00 2.48 -3.369709467e+00 -4.286230398e+00 -4.945019448e+00 2.50 -3.304520680e+00 -4.230844751e+00 -4.913327519e+00 2.52 -3.239540871e+00 -4.174606129e+00 -4.879677588e+00 2.54 -3.174861427e+00 -4.117625528e+00 -4.844204299e+00 2.56 -3.110564697e+00 -4.060007409e+00 -4.807036335e+00 2.58 -3.046724868e+00 -4.001850037e+00 -4.768296637e+00 2.60 -2.983408594e+00 -3.943245806e+00 -4.728102613e+00 2.62 -2.920675564e+00 -3.884281557e+00 -4.686566338e+00 2.64 -2.858579042e+00 -3.825038878e+00 -4.643794755e+00 2.66 -2.797166355e+00 -3.765594393e+00 -4.599889863e+00 2.68 -2.736479359e+00 -3.706020042e+00 -4.554948904e+00 2.70 -2.676554860e+00 -3.646383346e+00 -4.509064541e+00 2.72 -2.617425017e+00 -3.586747655e+00 -4.462325034e+00 2.74 -2.559117705e+00 -3.527172382e+00 -4.414814404e+00 2.76 -2.501656861e+00 -3.467713234e+00 -4.366612603e+00 2.78 -2.445062804e+00 -3.408422407e+00 -4.317795666e+00 2.80 -2.389352528e+00 -3.349348782e+00 -4.268435868e+00 2.82 -2.334539981e+00 -3.290538096e+00 -4.218601872e+00 2.84 -2.280636320e+00 -3.232033101e+00 -4.168358870e+00 2.86 -2.227650148e+00 -3.173873710e+00 -4.117768725e+00 2.88 -2.175587736e+00 -3.116097125e+00 -4.066890102e+00 2.90 -2.124453228e+00 -3.058737959e+00 -4.015778603e+00 2.92 -2.074248831e+00 -3.001828350e+00 -3.964486886e+00 2.94 -2.024974989e+00 -2.945398066e+00 -3.913069046e+00 2.96 -1.976630551e+00 -2.889474603e+00 -3.861592177e+00 2.98 -1.929212918e+00 -2.834083278e+00 -3.810121641e+00 3.00 -1.882718183e+00 -2.779247321e+00 -3.758716939e+00 3.02 -1.837141261e+00 -2.724987961e+00 -3.707432161e+00 3.04 -1.792476008e+00 -2.671324505e+00 -3.656316393e+00 3.06 -1.748715329e+00 -2.618274423e+00 -3.605414104e+00 3.08 -1.705851280e+00 -2.565853414e+00 -3.554765500e+00 3.10 -1.663875163e+00 -2.514075489e+00 -3.504406851e+00 3.12 -1.622777608e+00 -2.462953037e+00 -3.454370806e+00 3.14 -1.582548653e+00 -2.412496898e+00 -3.404686668e+00 3.16 -1.543177817e+00 -2.362716427e+00 -3.355380664e+00 3.18 -1.504654165e+00 -2.313619569e+00 -3.306476188e+00 3.20 -1.466966368e+00 -2.265212924e+00 -3.257994029e+00 3.22 -1.430102760e+00 -2.217501814e+00 -3.209952581e+00 3.24 -1.394051389e+00 -2.170490353e+00 -3.162368038e+00 3.26 -1.358800059e+00 -2.124181515e+00 -3.115254575e+00 3.28 -1.324336378e+00 -2.078577198e+00 -3.068624517e+00 3.30 -1.290647792e+00 -2.033678298e+00 -3.022488492e+00 3.32 -1.257721624e+00 -1.989484772e+00 -2.976855578e+00 3.34 -1.225545102e+00 -1.945995710e+00 -2.931733431e+00 3.36 -1.194105390e+00 -1.903209402e+00 -2.887128414e+00 3.38 -1.163389613e+00 -1.861123407e+00 -2.843045707e+00 3.40 -1.133384883e+00 -1.819734627e+00 -2.799489413e+00 3.42 -1.104078320e+00 -1.779039373e+00 -2.756462657e+00 3.44 -1.075457068e+00 -1.739033440e+00 -2.713967676e+00 3.46 -1.047508319e+00 -1.699712185e+00 -2.672005899e+00 3.48 -1.020219323e+00 -1.661070595e+00 -2.630578031e+00 3.50 -9.935774036e-01 -1.623103371e+00 -2.589684116e+00 3.52 -9.675699743e-01 -1.585805003e+00 -2.549323610e+00 3.54 -9.421845458e-01 -1.549169853e+00 -2.509495437e+00 3.56 -9.174087381e-01 -1.513192234e+00 -2.470198050e+00 3.58 -8.932302893e-01 -1.477866486e+00 -2.431429478e+00 3.60 -8.696370638e-01 -1.443187056e+00 -2.393187376e+00 3.62 -8.466170594e-01 -1.409148568e+00 -2.355469071e+00 3.64 -8.241584136e-01 -1.375745879e+00 -2.318271596e+00 3.66 -8.022494090e-01 -1.342974133e+00 -2.281591734e+00 3.68 -7.808784784e-01 -1.310828786e+00 -2.245426045e+00 3.70 -7.600342087e-01 -1.279305617e+00 -2.209770898e+00 3.72 -7.397053447e-01 -1.248400708e+00 -2.174622496e+00 3.74 -7.198807919e-01 -1.218110392e+00 -2.139976899e+00 3.76 -7.005496190e-01 -1.188431168e+00 -2.105830042e+00 3.78 -6.817010604e-01 -1.159359590e+00 -2.072177750e+00 3.80 -6.633245172e-01 -1.130892113e+00 -2.039015755e+00 3.82 -6.454095591e-01 -1.103024928e+00 -2.006339700e+00 3.84 -6.279459249e-01 -1.075753771e+00 -1.974145150e+00 3.86 -6.109235234e-01 -1.049073743e+00 -1.942427597e+00 3.88 -5.943324336e-01 -1.022979139e+00 -1.911182465e+00 3.90 -5.781629049e-01 -9.974633042e-01 -1.880405111e+00 3.92 -5.624053566e-01 -9.725185484e-01 -1.850090830e+00 3.94 -5.470503782e-01 -9.481361050e-01 -1.820234853e+00 3.96 -5.320887280e-01 -9.243061624e-01 -1.790832346e+00 3.98 -5.175113331e-01 -9.010179579e-01 -1.761878404e+00 4.00 -5.033092879e-01 -8.782599318e-01 -1.733368034e+00 4.02 -4.894738534e-01 -8.560199296e-01 -1.705296125e+00 4.04 -4.759964561e-01 -8.342854369e-01 -1.677657385e+00 4.06 -4.628686863e-01 -8.130438285e-01 -1.650446233e+00 4.08 -4.500822969e-01 -7.922826127e-01 -1.623656597e+00 4.10 -4.376292020e-01 -7.719896547e-01 -1.597281546e+00 4.12 -4.255014750e-01 -7.521533635e-01 -1.571312621e+00 4.14 -4.136913474e-01 -7.327628349e-01 -1.545738573e+00 4.16 -4.021912065e-01 -7.138079439e-01 -1.520542945e+00 4.18 -3.909935939e-01 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