# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-W # implementation = 2025--Sharifi-H--Cr-W--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 W W W Cr Cr 0.02 4.485249202e+04 3.088961997e+06 6.540873203e+02 0.04 1.913870705e+04 1.248039057e+06 2.974270961e+02 0.06 1.107972714e+04 6.913673195e+05 1.817366538e+02 0.08 7.297906580e+03 4.383041981e+05 1.255085055e+02 0.10 5.171598129e+03 2.999739560e+05 9.282445045e+01 0.12 3.842842652e+03 2.157694227e+05 7.175739755e+01 0.14 2.952391616e+03 1.607687646e+05 5.722441042e+01 0.16 2.325270555e+03 1.230150501e+05 4.670291143e+01 0.18 1.866936104e+03 9.612678154e+04 3.880451606e+01 0.20 1.522239672e+03 7.642158391e+04 3.270530857e+01 0.22 1.257049317e+03 6.164460154e+04 2.788735627e+01 0.24 1.049222950e+03 5.034996340e+04 2.400993348e+01 0.26 8.838362347e+02 4.157591708e+04 2.084044988e+01 0.28 7.505060103e+02 3.466336670e+04 1.821516468e+01 0.30 6.418153599e+02 2.914939278e+04 1.601577310e+01 0.32 5.523466365e+02 2.470204377e+04 1.415486872e+01 0.34 4.780663980e+02 2.107899798e+04 1.256660780e+01 0.36 4.159223169e+02 1.810060197e+04 1.120054293e+01 0.38 3.635714374e+02 1.563181665e+04 1.001743918e+01 0.40 3.191927789e+02 1.356987684e+04 8.986373767e+00 0.42 2.813554607e+02 1.183570090e+04 8.082685975e+00 0.44 2.489240386e+02 1.036780348e+04 7.286499636e+00 0.46 2.209895530e+02 9.117925870e+03 6.581642675e+00 0.48 1.968185554e+02 8.047856858e+03 5.954845050e+00 0.50 1.758148892e+02 7.127090008e+03 5.395134479e+00 0.52 1.574907603e+02 6.331081970e+03 4.893376521e+00 0.54 1.414445789e+02 5.639943132e+03 4.441920000e+00 0.56 1.273438211e+02 5.037444034e+03 4.034320609e+00 0.58 1.149116829e+02 4.510256232e+03 3.665123775e+00 0.60 1.039165845e+02 4.047366509e+03 3.329692099e+00 0.62 9.416386195e+01 3.639621799e+03 3.024067164e+00 0.64 8.548915488e+01 3.279373488e+03 2.744858108e+00 0.66 7.775309746e+01 2.960196858e+03 2.489150853e+00 0.68 7.083704091e+01 2.676668799e+03 2.254433789e+00 0.70 6.463958730e+01 2.424190553e+03 2.038536539e+00 0.72 5.907376121e+01 2.198845260e+03 1.839579037e+00 0.74 5.406469715e+01 1.997283124e+03 1.655929091e+00 0.76 4.954773718e+01 1.816628175e+03 1.486166743e+00 0.78 4.546685796e+01 1.654402130e+03 1.329054155e+00 0.80 4.177336838e+01 1.508462034e+03 1.183510127e+00 0.82 3.842482404e+01 1.376948825e+03 1.048588357e+00 0.84 3.538411987e+01 1.258244725e+03 9.234588482e-01 0.86 3.261873024e+01 1.150937851e+03 8.073919681e-01 0.88 3.010006834e+01 1.053792600e+03 6.997446877e-01 0.90 2.780294561e+01 9.657248253e+02 5.999487002e-01 0.92 2.570511424e+01 8.857809413e+02 5.075001336e-01 0.94 2.378687766e+01 8.131202281e+02 4.219505962e-01 0.96 2.203075906e+01 7.469998374e+02 3.428993955e-01 0.98 2.042121801e+01 6.867620225e+02 2.699867544e-01 1.00 1.894440719e+01 6.318232145e+02 2.028878801e-01 1.02 1.758796370e+01 5.816646774e+02 1.413077949e-01 1.04 1.634360372e+01 5.358244648e+02 8.497681174e-02 1.06 1.675577843e+01 4.938904843e+02 3.603504935e-02 1.08 1.958818011e+01 4.554945108e+02 8.954065071e-02 1.10 2.372810205e+01 4.203069887e+02 2.495766069e-01 1.12 2.838768668e+01 3.880325189e+02 4.637947808e-01 1.14 3.302535647e+01 3.584059321e+02 6.957144645e-01 1.16 3.728545571e+01 3.311888540e+02 9.206616895e-01 1.18 4.095089580e+01 3.061667066e+02 1.122801048e+00 1.20 4.390616693e+01 2.831460781e+02 1.292822975e+00 1.22 4.610864239e+01 2.619524110e+02 1.426151944e+00 1.24 4.756651980e+01 2.424279709e+02 1.521570680e+00 1.26 4.832200086e+01 2.244300549e+02 1.580170272e+00 1.28 4.843862703e+01 2.078305263e+02 1.604552585e+00 1.30 4.799188175e+01 1.919238032e+02 1.598235746e+00 1.32 4.706233931e+01 1.759334068e+02 1.565216795e+00 1.34 4.573079668e+01 1.602662105e+02 1.509656407e+00 1.36 4.407492670e+01 1.452189403e+02 1.435657341e+00 1.38 4.216709294e+01 1.309857738e+02 1.347114597e+00 1.40 4.007303710e+01 1.176833735e+02 1.247619742e+00 1.42 3.785121217e+01 1.053705770e+02 1.140404641e+00 1.44 3.555258690e+01 9.406380850e+01 1.028310808e+00 1.46 3.322077986e+01 8.374905855e+01 9.137902971e-01 1.48 3.089241987e+01 7.439114680e+01 7.989196848e-01 1.50 2.859765168e+01 6.594081913e+01 6.854210409e-01 1.52 2.636072392e+01 5.834013058e+01 5.746890450e-01 1.54 2.420061704e+01 5.152648204e+01 4.678216929e-01 1.56 2.213167650e+01 4.543559659e+01 3.656524822e-01 1.58 2.016422826e+01 4.000367172e+01 2.687826353e-01 1.60 1.830516259e+01 3.516888918e+01 1.776124476e-01 1.62 1.655847441e+01 3.087243283e+01 9.237096793e-02 1.64 1.492575557e+01 2.705913279e+01 1.314551209e-02 1.66 1.340663690e+01 2.367782626e+01 -6.008779955e-02 1.68 1.199917905e+01 2.068150996e+01 -1.274486061e-01 1.70 1.070021454e+01 1.802733975e+01 -1.891338778e-01 1.72 9.505643448e+00 1.567652185e+01 -2.453993303e-01 1.74 8.410685314e+00 1.359413118e+01 -2.965431204e-01 1.76 7.410092232e+00 1.174888114e+01 -3.428916752e-01 1.78 6.498326327e+00 1.011286584e+01 -3.847875424e-01 1.80 5.669705755e+00 8.661289167e+00 -4.225791055e-01 1.82 4.918522986e+00 7.372190098e+00 -4.566120088e-01 1.84 4.239138901e+00 6.226177368e+00 -4.872221490e-01 1.86 3.626056126e+00 5.206173556e+00 -5.147300807e-01 1.88 3.073974564e+00 4.297172615e+00 -5.394368620e-01 1.90 2.577831987e+00 3.486014460e+00 -5.616255060e-01 1.92 2.132832101e+00 2.761176953e+00 -5.815580806e-01 1.94 1.734462235e+00 2.112585831e+00 -5.994682287e-01 1.96 1.378502609e+00 1.531442668e+00 -6.155606982e-01 1.98 1.061028757e+00 1.010069690e+00 -6.300118584e-01 2.00 7.784089077e-01 5.417709429e-01 -6.429707218e-01 2.02 5.272971225e-01 1.207087337e-01 -6.545603692e-01 2.04 3.046232156e-01 -2.582060834e-01 -6.648803042e-01 2.06 1.075804809e-01 -5.994108181e-01 -6.740121939e-01 2.08 -6.638811174e-02 -9.067750872e-01 -6.820245590e-01 2.10 -2.196049456e-01 -1.183674898e+00 -6.889752681e-01 2.12 -3.541760363e-01 -1.433059688e+00 -6.949137513e-01 2.14 -4.720111649e-01 -1.657509243e+00 -6.998830095e-01 2.16 -5.748413223e-01 -1.859282994e+00 -7.039213940e-01 2.18 -6.642344378e-01 -2.040362865e+00 -7.070626140e-01 2.20 -7.416098078e-01 -2.202490879e+00 -7.093324765e-01 2.22 -8.082512806e-01 -2.347202976e+00 -7.107559744e-01 2.24 -8.653193010e-01 -2.475861721e+00 -7.113598625e-01 2.26 -9.138619580e-01 -2.589693393e+00 -7.111729050e-01 2.28 -9.548250681e-01 -2.689847232e+00 -7.102259366e-01 2.30 -9.890613946e-01 -2.777518150e+00 -7.085517642e-01 2.32 -1.017339090e+00 -2.854134696e+00 -7.061849388e-01 2.34 -1.040349385e+00 -2.921683736e+00 -7.031614307e-01 2.36 -1.058713607e+00 -2.983157063e+00 -6.995182407e-01 2.38 -1.072989589e+00 -3.042087878e+00 -6.952929821e-01 2.40 -1.083677480e+00 -3.094847986e+00 -6.905234599e-01 2.42 -1.091225061e+00 -3.096680116e+00 -6.852472729e-01 2.44 -1.096032599e+00 -2.923009478e+00 -6.795014575e-01 2.46 -1.098457294e+00 -2.518679710e+00 -6.733221834e-01 2.48 -1.098817380e+00 -2.074580113e+00 -6.667445099e-01 2.50 -1.097395919e+00 -1.767465194e+00 -6.598022274e-01 2.52 -1.094444297e+00 -1.603474299e+00 -6.525305275e-01 2.54 -1.090185443e+00 -1.526343877e+00 -6.449677869e-01 2.56 -1.084816746e+00 -1.491198565e+00 -6.371499223e-01 2.58 -1.078512669e+00 -1.473796920e+00 -6.291098966e-01 2.60 -1.071427074e+00 -1.462987197e+00 -6.208779224e-01 2.62 -1.063683341e+00 -1.454096037e+00 -6.124816643e-01 2.64 -1.055338316e+00 -1.445306062e+00 -6.039464355e-01 2.66 -1.046430684e+00 -1.435969177e+00 -5.952953852e-01 2.68 -1.036997913e+00 -1.425888106e+00 -5.865496741e-01 2.70 -1.027076175e+00 -1.415029567e+00 -5.777286385e-01 2.72 -1.016700339e+00 -1.403416159e+00 -5.688499423e-01 2.74 -1.005904015e+00 -1.391087855e+00 -5.599297156e-01 2.76 -9.947196286e-01 -1.378088693e+00 -5.509826833e-01 2.78 -9.831784804e-01 -1.364461678e+00 -5.420222821e-01 2.80 -9.713107920e-01 -1.350248974e+00 -5.330607676e-01 2.82 -9.591457231e-01 -1.335491932e+00 -5.241093128e-01 2.84 -9.467113720e-01 -1.320230948e+00 -5.151780975e-01 2.86 -9.340347705e-01 -1.304505382e+00 -5.062763906e-01 2.88 -9.211418812e-01 -1.288353514e+00 -4.974126251e-01 2.90 -9.080576016e-01 -1.271812493e+00 -4.885944668e-01 2.92 -8.948057760e-01 -1.254918313e+00 -4.798288771e-01 2.94 -8.814092148e-01 -1.237705784e+00 -4.711221704e-01 2.96 -8.678897240e-01 -1.220208519e+00 -4.624800668e-01 2.98 -8.542681509e-01 -1.202458916e+00 -4.539077402e-01 3.00 -8.405644709e-01 -1.184488157e+00 -4.454098621e-01 3.02 -8.267979861e-01 -1.166326206e+00 -4.369906423e-01 3.04 -8.129878621e-01 -1.148001810e+00 -4.286538655e-01 3.06 -7.991547741e-01 -1.129542508e+00 -4.204029250e-01 3.08 -7.853265278e-01 -1.110974640e+00 -4.122408540e-01 3.10 -7.715592911e-01 -1.092323363e+00 -4.041703538e-01 3.12 -7.580262330e-01 -1.073612668e+00 -3.961938197e-01 3.14 -7.454256360e-01 -1.054865394e+00 -3.883133648e-01 3.16 -7.370123472e-01 -1.036103255e+00 -3.805308422e-01 3.18 -7.483347637e-01 -1.017346860e+00 -3.728478646e-01 3.20 -8.248763432e-01 -9.986157346e-01 -3.652658231e-01 3.22 -9.124159259e-01 -9.799283536e-01 -3.577859038e-01 3.24 -9.150977545e-01 -9.613021616e-01 -3.504091037e-01 3.26 -8.954831116e-01 -9.427536031e-01 -3.431362447e-01 3.28 -8.741899884e-01 -9.242981509e-01 -3.359679868e-01 3.30 -8.531300538e-01 -9.059503342e-01 -3.289048402e-01 3.32 -8.324229293e-01 -8.877237688e-01 -3.219471767e-01 3.34 -8.120761724e-01 -8.696311856e-01 -3.150952396e-01 3.36 -7.920916312e-01 -8.516844614e-01 -3.083491535e-01 3.38 -7.724703775e-01 -8.338946475e-01 -3.017089329e-01 3.40 -7.532129107e-01 -8.162720002e-01 -2.951744903e-01 3.42 -7.343192017e-01 -7.988260097e-01 -2.887456438e-01 3.44 -7.157887306e-01 -7.815654295e-01 -2.824221239e-01 3.46 -6.976205224e-01 -7.644983051e-01 -2.762035800e-01 3.48 -6.798131815e-01 -7.476320031e-01 -2.700895865e-01 3.50 -6.623649229e-01 -7.309732383e-01 -2.640796482e-01 3.52 -6.452736031e-01 -7.145281024e-01 -2.581732051e-01 3.54 -6.285367486e-01 -6.983020903e-01 -2.523696381e-01 3.56 -6.121515824e-01 -6.823001267e-01 -2.466682725e-01 3.58 -5.961150502e-01 -6.665265927e-01 -2.410683828e-01 3.60 -5.804238441e-01 -6.509853502e-01 -2.355691962e-01 3.62 -5.650744250e-01 -6.356797674e-01 -2.301698966e-01 3.64 -5.500630445e-01 -6.206127424e-01 -2.248696276e-01 3.66 -5.353857646e-01 -6.057867268e-01 -2.196674961e-01 3.68 -5.210384766e-01 -5.912037483e-01 -2.145625748e-01 3.70 -5.070169193e-01 -5.768654329e-01 -2.095539057e-01 3.72 -4.933166955e-01 -5.627730260e-01 -2.046405019e-01 3.74 -4.799332874e-01 -5.489274134e-01 -1.998213507e-01 3.76 -4.668620721e-01 -5.353291414e-01 -1.950954157e-01 3.78 -4.540983348e-01 -5.219784354e-01 -1.904616390e-01 3.80 -4.416372821e-01 -5.088752196e-01 -1.859189432e-01 3.82 -4.294740538e-01 -4.960191341e-01 -1.814662337e-01 3.84 -4.176037351e-01 -4.834095527e-01 -1.771024001e-01 3.86 -4.060213661e-01 -4.710455994e-01 -1.728263181e-01 3.88 -3.947219528e-01 -4.589261647e-01 -1.686368514e-01 3.90 -3.837004755e-01 -4.470499204e-01 -1.645328529e-01 3.92 -3.729518981e-01 -4.354153351e-01 -1.605131664e-01 3.94 -3.624711758e-01 -4.240206880e-01 -1.565766279e-01 3.96 -3.522532626e-01 -4.128640825e-01 -1.527220669e-01 3.98 -3.422931184e-01 -4.019434594e-01 -1.489483078e-01 4.00 -3.325857152e-01 -3.912566090e-01 -1.452541712e-01 4.02 -3.231260433e-01 -3.808011833e-01 -1.416384744e-01 4.04 -3.139091167e-01 -3.705747074e-01 -1.381000333e-01 4.06 -3.049299781e-01 -3.605745901e-01 -1.346376629e-01 4.08 -2.961837036e-01 -3.507981343e-01 -1.312501784e-01 4.10 -2.876654073e-01 -3.412425469e-01 -1.279363961e-01 4.12 -2.793702448e-01 -3.319049484e-01 -1.246951342e-01 4.14 -2.712934169e-01 -3.227823812e-01 -1.215252138e-01 4.16 -2.634301731e-01 -3.138718186e-01 -1.184254596e-01 4.18 -2.557758144e-01 -3.051701727e-01 -1.153947005e-01 4.20 -2.483256959e-01 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