# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni # implementation = 2025--Sharifi-H--Cr-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 2025-07-01 r Cr Cr Ni Ni Cr Ni 0.02 6.540873203e+02 4.627988409e+05 1.883190819e+04 0.04 2.974270961e+02 1.934542832e+05 8.925868524e+03 0.06 1.817366538e+02 1.101353242e+05 5.731846993e+03 0.08 1.255085055e+02 7.150221648e+04 4.178530392e+03 0.10 9.282445045e+01 5.001136161e+04 3.267807762e+03 0.12 7.175739755e+01 3.671185755e+04 2.671031210e+03 0.14 5.722441042e+01 2.788203775e+04 2.249597478e+03 0.16 4.670291143e+01 2.172048195e+04 1.935483502e+03 0.18 3.880451606e+01 1.725883939e+04 1.691647604e+03 0.20 3.270530857e+01 1.393465691e+04 1.496308988e+03 0.22 2.788735627e+01 1.140112974e+04 1.335871633e+03 0.24 2.400993348e+01 9.434101450e+03 1.201431232e+03 0.26 2.084044988e+01 7.883078369e+03 1.086920031e+03 0.28 1.821516468e+01 6.643823836e+03 9.880622196e+02 0.30 1.601577310e+01 5.642257180e+03 9.017573199e+02 0.32 1.415486872e+01 4.824576857e+03 8.257006806e+02 0.34 1.256660780e+01 4.150981824e+03 7.581416171e+02 0.36 1.120054293e+01 3.591559458e+03 6.977246527e+02 0.38 1.001743918e+01 3.123516198e+03 6.433823187e+02 0.40 8.986373767e+00 2.729270784e+03 5.942610891e+02 0.42 8.082685975e+00 2.395115433e+03 5.496691341e+02 0.44 7.286499636e+00 2.110257711e+03 5.090386968e+02 0.46 6.581642675e+00 1.866125251e+03 4.718985763e+02 0.48 5.954845050e+00 1.655854062e+03 4.378536798e+02 0.50 5.395134479e+00 1.473906825e+03 4.065695933e+02 0.52 4.893376521e+00 1.315785606e+03 3.777608132e+02 0.54 4.441920000e+00 1.177813160e+03 3.511816515e+02 0.56 4.034320609e+00 1.056964878e+03 3.266191289e+02 0.58 3.665123775e+00 9.507388162e+02 3.038873755e+02 0.60 3.329692099e+00 8.570541847e+02 2.828231693e+02 0.62 3.024067164e+00 7.741715794e+02 2.632823540e+02 0.64 2.744858108e+00 7.006299394e+02 2.451369410e+02 0.66 2.489150853e+00 6.351963020e+02 2.282727432e+02 0.68 2.254433789e+00 5.768256025e+02 2.125874318e+02 0.70 2.038536539e+00 5.246283262e+02 1.979889298e+02 0.72 1.839579037e+00 4.778442944e+02 1.843940719e+02 0.74 1.655929091e+00 4.358213702e+02 1.717274838e+02 0.76 1.486166743e+00 3.979980540e+02 1.599206367e+02 0.78 1.329054155e+00 3.638891798e+02 1.489110449e+02 0.80 1.183510127e+00 3.330741409e+02 1.386415838e+02 0.82 1.048588357e+00 3.051871291e+02 1.290599029e+02 0.84 9.234588482e-01 2.799090185e+02 1.201179222e+02 0.86 8.073919681e-01 2.569606004e+02 1.117713948e+02 0.88 6.997446877e-01 2.360969052e+02 1.039795277e+02 0.90 5.999487002e-01 2.171024320e+02 9.670464884e+01 0.92 5.075001336e-01 1.997871246e+02 8.991191640e+01 0.94 4.219505962e-01 1.839829582e+02 8.356906165e+01 0.96 3.428993955e-01 1.695410437e+02 7.764616162e+01 0.98 2.699867544e-01 1.563291582e+02 7.211543722e+01 1.00 2.028878801e-01 1.442296309e+02 6.695107300e+01 1.02 1.413077949e-01 1.331250128e+02 6.212905607e+01 1.04 8.497681174e-02 1.227064231e+02 5.762703133e+01 1.06 3.603504935e-02 1.128558849e+02 5.342417106e+01 1.08 8.954065071e-02 1.035530988e+02 4.950105725e+01 1.10 2.495766069e-01 9.478192872e+01 4.583957474e+01 1.12 4.637947808e-01 8.652852875e+01 4.242281437e+01 1.14 6.957144645e-01 7.878000427e+01 3.923498462e+01 1.16 9.206616895e-01 7.152347279e+01 3.626121929e+01 1.18 1.122801048e+00 6.474544683e+01 3.355976348e+01 1.20 1.292822975e+00 5.843146989e+01 3.115966972e+01 1.22 1.426151944e+00 5.256594699e+01 2.898517492e+01 1.24 1.521570680e+00 4.713211923e+01 2.698062983e+01 1.26 1.580170272e+00 4.211214161e+01 2.510635044e+01 1.28 1.604552585e+00 3.748723073e+01 2.333481168e+01 1.30 1.598235746e+00 3.323785540e+01 2.164760155e+01 1.32 1.565216795e+00 2.934394994e+01 2.003300189e+01 1.34 1.509656407e+00 2.578513409e+01 1.848408929e+01 1.36 1.435657341e+00 2.254092813e+01 1.699726087e+01 1.38 1.347114597e+00 1.959095496e+01 1.557110507e+01 1.40 1.247619742e+00 1.691512357e+01 1.420555210e+01 1.42 1.140404641e+00 1.449379077e+01 1.290124733e+01 1.44 1.028310808e+00 1.230789933e+01 1.165910168e+01 1.46 9.137902971e-01 1.033909233e+01 1.047998081e+01 1.48 7.989196848e-01 8.569804248e+00 9.364501390e+00 1.50 6.854210409e-01 6.983329915e+00 8.312909208e+00 1.52 5.746890450e-01 5.563873368e+00 7.325018073e+00 1.54 4.678216929e-01 4.296578166e+00 6.400193250e+00 1.56 3.656524822e-01 3.167541537e+00 5.537366101e+00 1.58 2.687826353e-01 2.163814621e+00 4.735069594e+00 1.60 1.776124476e-01 1.273390540e+00 3.991486960e+00 1.62 9.237096793e-02 4.851827098e-01 3.304507205e+00 1.64 1.314551209e-02 -2.110048446e-01 2.671783098e+00 1.66 -6.008779955e-02 -8.245136511e-01 2.090788485e+00 1.68 -1.274486061e-01 -1.363871482e+00 1.558872488e+00 1.70 -1.891338778e-01 -1.836836508e+00 1.073309292e+00 1.72 -2.453993303e-01 -2.250443662e+00 6.313425743e-01 1.74 -2.965431204e-01 -2.611051967e+00 2.302241486e-01 1.76 -3.428916752e-01 -2.924392267e+00 -1.327531873e-01 1.78 -3.847875424e-01 -3.195614473e+00 -4.602284935e-01 1.80 -4.225791055e-01 -3.429333743e+00 -7.547508510e-01 1.82 -4.566120088e-01 -3.629675025e+00 -1.018762409e+00 1.84 -4.872221490e-01 -3.800315739e+00 -1.254585825e+00 1.86 -5.147300807e-01 -3.944526367e+00 -1.464415554e+00 1.88 -5.394368620e-01 -4.065208808e+00 -1.650312484e+00 1.90 -5.616255060e-01 -4.164932226e+00 -1.814201390e+00 1.92 -5.815580806e-01 -4.245966471e+00 -1.957870756e+00 1.94 -5.994682287e-01 -4.310313064e+00 -2.082974530e+00 1.96 -6.155606982e-01 -4.359733686e+00 -2.191035417e+00 1.98 -6.300118584e-01 -4.395776385e+00 -2.283449544e+00 2.00 -6.429707218e-01 -4.419799502e+00 -2.361498766e+00 2.02 -6.545603692e-01 -4.432996272e+00 -2.426373410e+00 2.04 -6.648803042e-01 -4.436437131e+00 -2.479182180e+00 2.06 -6.740121939e-01 -4.431100446e+00 -2.520957152e+00 2.08 -6.820245590e-01 -4.417881444e+00 -2.552658453e+00 2.10 -6.889752681e-01 -4.397599060e+00 -2.575178651e+00 2.12 -6.949137513e-01 -4.371002213e+00 -2.589346905e+00 2.14 -6.998830095e-01 -4.338775575e+00 -2.595932864e+00 2.16 -7.039213940e-01 -4.301544884e+00 -2.595650358e+00 2.18 -7.070626140e-01 -4.259881798e+00 -2.589160872e+00 2.20 -7.093324765e-01 -4.214308381e+00 -2.577076841e+00 2.22 -7.107559744e-01 -4.165301200e+00 -2.559964756e+00 2.24 -7.113598625e-01 -4.113295100e+00 -2.538348118e+00 2.26 -7.111729050e-01 -4.058686664e+00 -2.512710232e+00 2.28 -7.102259366e-01 -4.001837390e+00 -2.483496861e+00 2.30 -7.085517642e-01 -3.943076599e+00 -2.451118748e+00 2.32 -7.061849388e-01 -3.882704111e+00 -2.415954012e+00 2.34 -7.031614307e-01 -3.820992693e+00 -2.378350428e+00 2.36 -6.995182407e-01 -3.758190304e+00 -2.338627586e+00 2.38 -6.952929821e-01 -3.694522150e+00 -2.297081843e+00 2.40 -6.905234599e-01 -3.630192574e+00 -2.254081912e+00 2.42 -6.852472729e-01 -3.565386782e+00 -2.210066353e+00 2.44 -6.795014575e-01 -3.500272426e+00 -2.165414927e+00 2.46 -6.733221834e-01 -3.435001060e+00 -2.120448421e+00 2.48 -6.667445099e-01 -3.369709467e+00 -2.075436124e+00 2.50 -6.598022274e-01 -3.304520680e+00 -2.030602461e+00 2.52 -6.525305275e-01 -3.239540871e+00 -1.986132889e+00 2.54 -6.449677869e-01 -3.174861427e+00 -1.942179106e+00 2.56 -6.371499223e-01 -3.110564697e+00 -1.898863635e+00 2.58 -6.291098966e-01 -3.046724868e+00 -1.856283857e+00 2.60 -6.208779224e-01 -2.983408594e+00 -1.814515531e+00 2.62 -6.124816643e-01 -2.920675564e+00 -1.773615875e+00 2.64 -6.039464355e-01 -2.858579042e+00 -1.733626238e+00 2.66 -5.952953852e-01 -2.797166355e+00 -1.694574436e+00 2.68 -5.865496741e-01 -2.736479359e+00 -1.656476770e+00 2.70 -5.777286385e-01 -2.676554860e+00 -1.619339799e+00 2.72 -5.688499423e-01 -2.617425017e+00 -1.583161877e+00 2.74 -5.599297156e-01 -2.559117705e+00 -1.547934511e+00 2.76 -5.509826833e-01 -2.501656861e+00 -1.513643550e+00 2.78 -5.420222821e-01 -2.445062804e+00 -1.480270241e+00 2.80 -5.330607676e-01 -2.389352528e+00 -1.447792158e+00 2.82 -5.241093128e-01 -2.334539981e+00 -1.416184028e+00 2.84 -5.151780975e-01 -2.280636320e+00 -1.385418457e+00 2.86 -5.062763906e-01 -2.227650148e+00 -1.355466564e+00 2.88 -4.974126251e-01 -2.175587736e+00 -1.326298530e+00 2.90 -4.885944668e-01 -2.124453228e+00 -1.297884067e+00 2.92 -4.798288771e-01 -2.074248831e+00 -1.270192818e+00 2.94 -4.711221704e-01 -2.024974989e+00 -1.243194684e+00 2.96 -4.624800668e-01 -1.976630551e+00 -1.216860090e+00 2.98 -4.539077402e-01 -1.929212918e+00 -1.191160206e+00 3.00 -4.454098621e-01 -1.882718183e+00 -1.166067111e+00 3.02 -4.369906423e-01 -1.837141261e+00 -1.141553923e+00 3.04 -4.286538655e-01 -1.792476008e+00 -1.117594897e+00 3.06 -4.204029250e-01 -1.748715329e+00 -1.094165486e+00 3.08 -4.122408540e-01 -1.705851280e+00 -1.071242389e+00 3.10 -4.041703538e-01 -1.663875163e+00 -1.048803572e+00 3.12 -3.961938197e-01 -1.622777608e+00 -1.026828272e+00 3.14 -3.883133648e-01 -1.582548653e+00 -1.005296988e+00 3.16 -3.805308422e-01 -1.543177817e+00 -9.841914652e-01 3.18 -3.728478646e-01 -1.504654165e+00 -9.634946635e-01 3.20 -3.652658231e-01 -1.466966368e+00 -9.431907192e-01 3.22 -3.577859038e-01 -1.430102760e+00 -9.232649041e-01 3.24 -3.504091037e-01 -1.394051389e+00 -9.037035774e-01 3.26 -3.431362447e-01 -1.358800059e+00 -8.844941344e-01 3.28 -3.359679868e-01 -1.324336378e+00 -8.656249539e-01 3.30 -3.289048402e-01 -1.290647792e+00 -8.470853434e-01 3.32 -3.219471767e-01 -1.257721624e+00 -8.288654832e-01 3.34 -3.150952396e-01 -1.225545102e+00 -8.109563714e-01 3.36 -3.083491535e-01 -1.194105390e+00 -7.933497685e-01 3.38 -3.017089329e-01 -1.163389613e+00 -7.760381438e-01 3.40 -2.951744903e-01 -1.133384883e+00 -7.590146220e-01 3.42 -2.887456438e-01 -1.104078320e+00 -7.422729322e-01 3.44 -2.824221239e-01 -1.075457068e+00 -7.258073582e-01 3.46 -2.762035800e-01 -1.047508319e+00 -7.096126913e-01 3.48 -2.700895865e-01 -1.020219323e+00 -6.936841847e-01 3.50 -2.640796482e-01 -9.935774036e-01 -6.780175104e-01 3.52 -2.581732051e-01 -9.675699743e-01 -6.626087178e-01 3.54 -2.523696381e-01 -9.421845458e-01 -6.474541957e-01 3.56 -2.466682725e-01 -9.174087381e-01 -6.325506353e-01 3.58 -2.410683828e-01 -8.932302893e-01 -6.178949967e-01 3.60 -2.355691962e-01 -8.696370638e-01 -6.034844764e-01 3.62 -2.301698966e-01 -8.466170594e-01 -5.893164780e-01 3.64 -2.248696276e-01 -8.241584136e-01 -5.753885845e-01 3.66 -2.196674961e-01 -8.022494090e-01 -5.616985330e-01 3.68 -2.145625748e-01 -7.808784784e-01 -5.482441912e-01 3.70 -2.095539057e-01 -7.600342087e-01 -5.350235355e-01 3.72 -2.046405019e-01 -7.397053447e-01 -5.220346317e-01 3.74 -1.998213507e-01 -7.198807919e-01 -5.092756171e-01 3.76 -1.950954157e-01 -7.005496190e-01 -4.967446837e-01 3.78 -1.904616390e-01 -6.817010604e-01 -4.844400640e-01 3.80 -1.859189432e-01 -6.633245172e-01 -4.723600174e-01 3.82 -1.814662337e-01 -6.454095591e-01 -4.605028186e-01 3.84 -1.771024001e-01 -6.279459249e-01 -4.488667471e-01 3.86 -1.728263181e-01 -6.109235234e-01 -4.374500779e-01 3.88 -1.686368514e-01 -5.943324336e-01 -4.262510733e-01 3.90 -1.645328529e-01 -5.781629049e-01 -4.152679761e-01 3.92 -1.605131664e-01 -5.624053566e-01 -4.044990033e-01 3.94 -1.565766279e-01 -5.470503782e-01 -3.939423412e-01 3.96 -1.527220669e-01 -5.320887280e-01 -3.835961412e-01 3.98 -1.489483078e-01 -5.175113331e-01 -3.734585163e-01 4.00 -1.452541712e-01 -5.033092879e-01 -3.635275382e-01 4.02 -1.416384744e-01 -4.894738534e-01 -3.538012357e-01 4.04 -1.381000333e-01 -4.759964561e-01 -3.442775928e-01 4.06 -1.346376629e-01 -4.628686863e-01 -3.349545481e-01 4.08 -1.312501784e-01 -4.500822969e-01 -3.258299942e-01 4.10 -1.279363961e-01 -4.376292020e-01 -3.169017782e-01 4.12 -1.246951342e-01 -4.255014750e-01 -3.081677015e-01 4.14 -1.215252138e-01 -4.136913474e-01 -2.996255212e-01 4.16 -1.184254596e-01 -4.021912065e-01 -2.912729511e-01 4.18 -1.153947005e-01 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