# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--W-Cr-Ni # implementation = 2025--Sharifi-H--W-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 W Cr W Cr Ni W W Ni Ni 0.02 6.540873203e+02 1.197700222e+06 4.485249202e+04 1.883190819e+04 3.088961997e+06 4.627988409e+05 0.04 2.974270961e+02 4.932375292e+05 1.913870705e+04 8.925868524e+03 1.248039057e+06 1.934542832e+05 0.06 1.817366538e+02 2.777101551e+05 1.107972714e+04 5.731846993e+03 6.913673195e+05 1.101353242e+05 0.08 1.255085055e+02 1.787151328e+05 7.297906580e+03 4.178530392e+03 4.383041981e+05 7.150221648e+04 0.10 9.282445045e+01 1.240870203e+05 5.171598129e+03 3.267807762e+03 2.999739560e+05 5.001136161e+04 0.12 7.175739755e+01 9.052256942e+04 3.842842652e+03 2.671031210e+03 2.157694227e+05 3.671185755e+04 0.14 5.722441042e+01 6.838844966e+04 2.952391616e+03 2.249597478e+03 1.607687646e+05 2.788203775e+04 0.16 4.670291143e+01 5.304362077e+04 2.325270555e+03 1.935483502e+03 1.230150501e+05 2.172048195e+04 0.18 3.880451606e+01 4.200258344e+04 1.866936104e+03 1.691647604e+03 9.612678154e+04 1.725883939e+04 0.20 3.270530857e+01 3.382627309e+04 1.522239672e+03 1.496308988e+03 7.642158391e+04 1.393465691e+04 0.22 2.788735627e+01 2.763015338e+04 1.257049317e+03 1.335871633e+03 6.164460154e+04 1.140112974e+04 0.24 2.400993348e+01 2.284448165e+04 1.049222950e+03 1.201431232e+03 5.034996340e+04 9.434101450e+03 0.26 2.084044988e+01 1.908827210e+04 8.838362347e+02 1.086920031e+03 4.157591708e+04 7.883078369e+03 0.28 1.821516468e+01 1.609885518e+04 7.505060103e+02 9.880622196e+02 3.466336670e+04 6.643823836e+03 0.30 1.601577310e+01 1.369051672e+04 6.418153599e+02 9.017573199e+02 2.914939278e+04 5.642257180e+03 0.32 1.415486872e+01 1.172913952e+04 5.523466365e+02 8.257006806e+02 2.470204377e+04 4.824576857e+03 0.34 1.256660780e+01 1.011609708e+04 4.780663980e+02 7.581416171e+02 2.107899798e+04 4.150981824e+03 0.36 1.120054293e+01 8.777719962e+03 4.159223169e+02 6.977246527e+02 1.810060197e+04 3.591559458e+03 0.38 1.001743918e+01 7.658216872e+03 3.635714374e+02 6.433823187e+02 1.563181665e+04 3.123516198e+03 0.40 8.986373767e+00 6.714814703e+03 3.191927789e+02 5.942610891e+02 1.356987684e+04 2.729270784e+03 0.42 8.082685975e+00 5.914358474e+03 2.813554607e+02 5.496691341e+02 1.183570090e+04 2.395115433e+03 0.44 7.286499636e+00 5.230888478e+03 2.489240386e+02 5.090386968e+02 1.036780348e+04 2.110257711e+03 0.46 6.581642675e+00 4.643890651e+03 2.209895530e+02 4.718985763e+02 9.117925870e+03 1.866125251e+03 0.48 5.954845050e+00 4.137015698e+03 1.968185554e+02 4.378536798e+02 8.047856858e+03 1.655854062e+03 0.50 5.395134479e+00 3.697129074e+03 1.758148892e+02 4.065695933e+02 7.127090008e+03 1.473906825e+03 0.52 4.893376521e+00 3.313600144e+03 1.574907603e+02 3.777608132e+02 6.331081970e+03 1.315785606e+03 0.54 4.441920000e+00 2.977764318e+03 1.414445789e+02 3.511816515e+02 5.639943132e+03 1.177813160e+03 0.56 4.034320609e+00 2.682512291e+03 1.273438211e+02 3.266191289e+02 5.037444034e+03 1.056964878e+03 0.58 3.665123775e+00 2.421974262e+03 1.149116829e+02 3.038873755e+02 4.510256232e+03 9.507388162e+02 0.60 3.329692099e+00 2.191274788e+03 1.039165845e+02 2.828231693e+02 4.047366509e+03 8.570541847e+02 0.62 3.024067164e+00 1.986341260e+03 9.416386195e+01 2.632823540e+02 3.639621799e+03 7.741715794e+02 0.64 2.744858108e+00 1.803753370e+03 8.548915488e+01 2.451369410e+02 3.279373488e+03 7.006299394e+02 0.66 2.489150853e+00 1.640623783e+03 7.775309746e+01 2.282727432e+02 2.960196858e+03 6.351963020e+02 0.68 2.254433789e+00 1.494503127e+03 7.083704091e+01 2.125874318e+02 2.676668799e+03 5.768256025e+02 0.70 2.038536539e+00 1.363303901e+03 6.463958730e+01 1.979889298e+02 2.424190553e+03 5.246283262e+02 0.72 1.839579037e+00 1.245239060e+03 5.907376121e+01 1.843940719e+02 2.198845260e+03 4.778442944e+02 0.74 1.655929091e+00 1.138772326e+03 5.406469715e+01 1.717274838e+02 1.997283124e+03 4.358213702e+02 0.76 1.486166743e+00 1.042577700e+03 4.954773718e+01 1.599206367e+02 1.816628175e+03 3.979980540e+02 0.78 1.329054155e+00 9.555062899e+02 4.546685796e+01 1.489110449e+02 1.654402130e+03 3.638891798e+02 0.80 1.183510127e+00 8.765590646e+02 4.177336838e+01 1.386415838e+02 1.508462034e+03 3.330741409e+02 0.82 1.048588357e+00 8.048643162e+02 3.842482404e+01 1.290599029e+02 1.376948825e+03 3.051871291e+02 0.84 9.234588482e-01 7.396589433e+02 3.538411987e+01 1.201179222e+02 1.258244725e+03 2.799090185e+02 0.86 8.073919681e-01 6.802728669e+02 3.261873024e+01 1.117713948e+02 1.150937851e+03 2.569606004e+02 0.88 6.997446877e-01 6.261159591e+02 3.010006834e+01 1.039795277e+02 1.053792600e+03 2.360969052e+02 0.90 5.999487002e-01 5.766670606e+02 2.780294561e+01 9.670464884e+01 9.657248253e+02 2.171024320e+02 0.92 5.075001336e-01 5.314647161e+02 2.570511424e+01 8.991191640e+01 8.857809413e+02 1.997871246e+02 0.94 4.219505962e-01 4.900993097e+02 2.378687766e+01 8.356906165e+01 8.131202281e+02 1.839829582e+02 0.96 3.428993955e-01 4.522063862e+02 2.203075906e+01 7.764616162e+01 7.469998374e+02 1.695410437e+02 0.98 2.699867544e-01 4.174609484e+02 2.042121801e+01 7.211543722e+01 6.867620225e+02 1.563291582e+02 1.00 2.028878801e-01 3.855725663e+02 1.894440719e+01 6.695107300e+01 6.318232145e+02 1.442296309e+02 1.02 1.413077949e-01 3.562876432e+02 1.758796370e+01 6.212905607e+01 5.816646774e+02 1.331250128e+02 1.04 8.497681174e-02 3.283156902e+02 1.634360372e+01 5.762703133e+01 5.358244648e+02 1.227064231e+02 1.06 3.603504935e-02 3.004017210e+02 1.675577843e+01 5.342417106e+01 4.938904843e+02 1.128558849e+02 1.08 8.954065071e-02 2.732054563e+02 1.958818011e+01 4.950105725e+01 4.554945108e+02 1.035530988e+02 1.10 2.495766069e-01 2.471991610e+02 2.372810205e+01 4.583957474e+01 4.203069887e+02 9.478192872e+01 1.12 4.637947808e-01 2.226866030e+02 2.838768668e+01 4.242281437e+01 3.880325189e+02 8.652852875e+01 1.14 6.957144645e-01 1.998447289e+02 3.302535647e+01 3.923498462e+01 3.584059321e+02 7.878000427e+01 1.16 9.206616895e-01 1.787563262e+02 3.728545571e+01 3.626121929e+01 3.311888540e+02 7.152347279e+01 1.18 1.122801048e+00 1.594354606e+02 4.095089580e+01 3.355976348e+01 3.061667066e+02 6.474544683e+01 1.20 1.292822975e+00 1.418472066e+02 4.390616693e+01 3.115966972e+01 2.831460781e+02 5.843146989e+01 1.22 1.426151944e+00 1.259228501e+02 4.610864239e+01 2.898517492e+01 2.619524110e+02 5.256594699e+01 1.24 1.521570680e+00 1.115714962e+02 4.756651980e+01 2.698062983e+01 2.424279709e+02 4.713211923e+01 1.26 1.580170272e+00 9.868885721e+01 4.832200086e+01 2.510635044e+01 2.244300549e+02 4.211214161e+01 1.28 1.604552585e+00 8.716381595e+01 4.843862703e+01 2.333481168e+01 2.078305263e+02 3.748723073e+01 1.30 1.598235746e+00 7.688325079e+01 4.799188175e+01 2.164760155e+01 1.919238032e+02 3.323785540e+01 1.32 1.565216795e+00 6.773550889e+01 4.706233931e+01 2.003300189e+01 1.759334068e+02 2.934394994e+01 1.34 1.509656407e+00 5.961283122e+01 4.573079668e+01 1.848408929e+01 1.602662105e+02 2.578513409e+01 1.36 1.435657341e+00 5.241297557e+01 4.407492670e+01 1.699726087e+01 1.452189403e+02 2.254092813e+01 1.38 1.347114597e+00 4.604022697e+01 4.216709294e+01 1.557110507e+01 1.309857738e+02 1.959095496e+01 1.40 1.247619742e+00 4.040594938e+01 4.007303710e+01 1.420555210e+01 1.176833735e+02 1.691512357e+01 1.42 1.140404641e+00 3.542879762e+01 3.785121217e+01 1.290124733e+01 1.053705770e+02 1.449379077e+01 1.44 1.028310808e+00 3.103468047e+01 3.555258690e+01 1.165910168e+01 9.406380850e+01 1.230789933e+01 1.46 9.137902971e-01 2.715655073e+01 3.322077986e+01 1.047998081e+01 8.374905855e+01 1.033909233e+01 1.48 7.989196848e-01 2.373407534e+01 3.089241987e+01 9.364501390e+00 7.439114680e+01 8.569804248e+00 1.50 6.854210409e-01 2.071322872e+01 2.859765168e+01 8.312909208e+00 6.594081913e+01 6.983329915e+00 1.52 5.746890450e-01 1.804584345e+01 2.636072392e+01 7.325018073e+00 5.834013058e+01 5.563873368e+00 1.54 4.678216929e-01 1.568913961e+01 2.420061704e+01 6.400193250e+00 5.152648204e+01 4.296578166e+00 1.56 3.656524822e-01 1.360525233e+01 2.213167650e+01 5.537366101e+00 4.543559659e+01 3.167541537e+00 1.58 2.687826353e-01 1.176077028e+01 2.016422826e+01 4.735069594e+00 4.000367172e+01 2.163814621e+00 1.60 1.776124476e-01 1.012629215e+01 1.830516259e+01 3.991486960e+00 3.516888918e+01 1.273390540e+00 1.62 9.237096793e-02 8.676008971e+00 1.655847441e+01 3.304507205e+00 3.087243283e+01 4.851827098e-01 1.64 1.314551209e-02 7.387314606e+00 1.492575557e+01 2.671783098e+00 2.705913279e+01 -2.110048446e-01 1.66 -6.008779955e-02 6.240446021e+00 1.340663690e+01 2.090788485e+00 2.367782626e+01 -8.245136511e-01 1.68 -1.274486061e-01 5.218154859e+00 1.199917905e+01 1.558872488e+00 2.068150996e+01 -1.363871482e+00 1.70 -1.891338778e-01 4.305408971e+00 1.070021454e+01 1.073309292e+00 1.802733975e+01 -1.836836508e+00 1.72 -2.453993303e-01 3.489123117e+00 9.505643448e+00 6.313425743e-01 1.567652185e+01 -2.250443662e+00 1.74 -2.965431204e-01 2.757917787e+00 8.410685314e+00 2.302241486e-01 1.359413118e+01 -2.611051967e+00 1.76 -3.428916752e-01 2.101903645e+00 7.410092232e+00 -1.327531873e-01 1.174888114e+01 -2.924392267e+00 1.78 -3.847875424e-01 1.512490172e+00 6.498326327e+00 -4.602284935e-01 1.011286584e+01 -3.195614473e+00 1.80 -4.225791055e-01 9.822164362e-01 5.669705755e+00 -7.547508510e-01 8.661289167e+00 -3.429333743e+00 1.82 -4.566120088e-01 5.046020070e-01 4.918522986e+00 -1.018762409e+00 7.372190098e+00 -3.629675025e+00 1.84 -4.872221490e-01 7.401613169e-02 4.239138901e+00 -1.254585825e+00 6.226177368e+00 -3.800315739e+00 1.86 -5.147300807e-01 -3.144368287e-01 3.626056126e+00 -1.464415554e+00 5.206173556e+00 -3.944526367e+00 1.88 -5.394368620e-01 -6.650174321e-01 3.073974564e+00 -1.650312484e+00 4.297172615e+00 -4.065208808e+00 1.90 -5.616255060e-01 -9.814380721e-01 2.577831987e+00 -1.814201390e+00 3.486014460e+00 -4.164932226e+00 1.92 -5.815580806e-01 -1.266938454e+00 2.132832101e+00 -1.957870756e+00 2.761176953e+00 -4.245966471e+00 1.94 -5.994682287e-01 -1.524350924e+00 1.734462235e+00 -2.082974530e+00 2.112585831e+00 -4.310313064e+00 1.96 -6.155606982e-01 -1.756156832e+00 1.378502609e+00 -2.191035417e+00 1.531442668e+00 -4.359733686e+00 1.98 -6.300118584e-01 -1.964535163e+00 1.061028757e+00 -2.283449544e+00 1.010069690e+00 -4.395776385e+00 2.00 -6.429707218e-01 -2.151404320e+00 7.784089077e-01 -2.361498766e+00 5.417709429e-01 -4.419799502e+00 2.02 -6.545603692e-01 -2.318458013e+00 5.272971225e-01 -2.426373410e+00 1.207087337e-01 -4.432996272e+00 2.04 -6.648803042e-01 -2.467196061e+00 3.046232156e-01 -2.479182180e+00 -2.582060834e-01 -4.436437131e+00 2.06 -6.740121939e-01 -2.598951497e+00 1.075804809e-01 -2.520957152e+00 -5.994108181e-01 -4.431100446e+00 2.08 -6.820245590e-01 -2.714931263e+00 -6.638811174e-02 -2.552658453e+00 -9.067750872e-01 -4.417881444e+00 2.10 -6.889752681e-01 -2.816262127e+00 -2.196049456e-01 -2.575178651e+00 -1.183674898e+00 -4.397599060e+00 2.12 -6.949137513e-01 -2.904001919e+00 -3.541760363e-01 -2.589346905e+00 -1.433059688e+00 -4.371002213e+00 2.14 -6.998830095e-01 -2.979143474e+00 -4.720111649e-01 -2.595932864e+00 -1.657509243e+00 -4.338775575e+00 2.16 -7.039213940e-01 -3.042618287e+00 -5.748413223e-01 -2.595650358e+00 -1.859282994e+00 -4.301544884e+00 2.18 -7.070626140e-01 -3.095299909e+00 -6.642344378e-01 -2.589160872e+00 -2.040362865e+00 -4.259881798e+00 2.20 -7.093324765e-01 -3.138007078e+00 -7.416098078e-01 -2.577076841e+00 -2.202490879e+00 -4.214308381e+00 2.22 -7.107559744e-01 -3.171506633e+00 -8.082512806e-01 -2.559964756e+00 -2.347202976e+00 -4.165301200e+00 2.24 -7.113598625e-01 -3.196516234e+00 -8.653193010e-01 -2.538348118e+00 -2.475861721e+00 -4.113295100e+00 2.26 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