# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--W # implementation = 2025--Sharifi-H--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 W W 0.02 3.088961997e+06 0.04 1.248039057e+06 0.06 6.913673195e+05 0.08 4.383041981e+05 0.10 2.999739560e+05 0.12 2.157694227e+05 0.14 1.607687646e+05 0.16 1.230150501e+05 0.18 9.612678154e+04 0.20 7.642158391e+04 0.22 6.164460154e+04 0.24 5.034996340e+04 0.26 4.157591708e+04 0.28 3.466336670e+04 0.30 2.914939278e+04 0.32 2.470204377e+04 0.34 2.107899798e+04 0.36 1.810060197e+04 0.38 1.563181665e+04 0.40 1.356987684e+04 0.42 1.183570090e+04 0.44 1.036780348e+04 0.46 9.117925870e+03 0.48 8.047856858e+03 0.50 7.127090008e+03 0.52 6.331081970e+03 0.54 5.639943132e+03 0.56 5.037444034e+03 0.58 4.510256232e+03 0.60 4.047366509e+03 0.62 3.639621799e+03 0.64 3.279373488e+03 0.66 2.960196858e+03 0.68 2.676668799e+03 0.70 2.424190553e+03 0.72 2.198845260e+03 0.74 1.997283124e+03 0.76 1.816628175e+03 0.78 1.654402130e+03 0.80 1.508462034e+03 0.82 1.376948825e+03 0.84 1.258244725e+03 0.86 1.150937851e+03 0.88 1.053792600e+03 0.90 9.657248253e+02 0.92 8.857809413e+02 0.94 8.131202281e+02 0.96 7.469998374e+02 0.98 6.867620225e+02 1.00 6.318232145e+02 1.02 5.816646774e+02 1.04 5.358244648e+02 1.06 4.938904843e+02 1.08 4.554945108e+02 1.10 4.203069887e+02 1.12 3.880325189e+02 1.14 3.584059321e+02 1.16 3.311888540e+02 1.18 3.061667066e+02 1.20 2.831460781e+02 1.22 2.619524110e+02 1.24 2.424279709e+02 1.26 2.244300549e+02 1.28 2.078305263e+02 1.30 1.919238032e+02 1.32 1.759334068e+02 1.34 1.602662105e+02 1.36 1.452189403e+02 1.38 1.309857738e+02 1.40 1.176833735e+02 1.42 1.053705770e+02 1.44 9.406380850e+01 1.46 8.374905855e+01 1.48 7.439114680e+01 1.50 6.594081913e+01 1.52 5.834013058e+01 1.54 5.152648204e+01 1.56 4.543559659e+01 1.58 4.000367172e+01 1.60 3.516888918e+01 1.62 3.087243283e+01 1.64 2.705913279e+01 1.66 2.367782626e+01 1.68 2.068150996e+01 1.70 1.802733975e+01 1.72 1.567652185e+01 1.74 1.359413118e+01 1.76 1.174888114e+01 1.78 1.011286584e+01 1.80 8.661289167e+00 1.82 7.372190098e+00 1.84 6.226177368e+00 1.86 5.206173556e+00 1.88 4.297172615e+00 1.90 3.486014460e+00 1.92 2.761176953e+00 1.94 2.112585831e+00 1.96 1.531442668e+00 1.98 1.010069690e+00 2.00 5.417709429e-01 2.02 1.207087337e-01 2.04 -2.582060834e-01 2.06 -5.994108181e-01 2.08 -9.067750872e-01 2.10 -1.183674898e+00 2.12 -1.433059688e+00 2.14 -1.657509243e+00 2.16 -1.859282994e+00 2.18 -2.040362865e+00 2.20 -2.202490879e+00 2.22 -2.347202976e+00 2.24 -2.475861721e+00 2.26 -2.589693393e+00 2.28 -2.689847232e+00 2.30 -2.777518150e+00 2.32 -2.854134696e+00 2.34 -2.921683736e+00 2.36 -2.983157063e+00 2.38 -3.042087878e+00 2.40 -3.094847986e+00 2.42 -3.096680116e+00 2.44 -2.923009478e+00 2.46 -2.518679710e+00 2.48 -2.074580113e+00 2.50 -1.767465194e+00 2.52 -1.603474299e+00 2.54 -1.526343877e+00 2.56 -1.491198565e+00 2.58 -1.473796920e+00 2.60 -1.462987197e+00 2.62 -1.454096037e+00 2.64 -1.445306062e+00 2.66 -1.435969177e+00 2.68 -1.425888106e+00 2.70 -1.415029567e+00 2.72 -1.403416159e+00 2.74 -1.391087855e+00 2.76 -1.378088693e+00 2.78 -1.364461678e+00 2.80 -1.350248974e+00 2.82 -1.335491932e+00 2.84 -1.320230948e+00 2.86 -1.304505382e+00 2.88 -1.288353514e+00 2.90 -1.271812493e+00 2.92 -1.254918313e+00 2.94 -1.237705784e+00 2.96 -1.220208519e+00 2.98 -1.202458916e+00 3.00 -1.184488157e+00 3.02 -1.166326206e+00 3.04 -1.148001810e+00 3.06 -1.129542508e+00 3.08 -1.110974640e+00 3.10 -1.092323363e+00 3.12 -1.073612668e+00 3.14 -1.054865394e+00 3.16 -1.036103255e+00 3.18 -1.017346860e+00 3.20 -9.986157346e-01 3.22 -9.799283536e-01 3.24 -9.613021616e-01 3.26 -9.427536031e-01 3.28 -9.242981509e-01 3.30 -9.059503342e-01 3.32 -8.877237688e-01 3.34 -8.696311856e-01 3.36 -8.516844614e-01 3.38 -8.338946475e-01 3.40 -8.162720002e-01 3.42 -7.988260097e-01 3.44 -7.815654295e-01 3.46 -7.644983051e-01 3.48 -7.476320031e-01 3.50 -7.309732383e-01 3.52 -7.145281024e-01 3.54 -6.983020903e-01 3.56 -6.823001267e-01 3.58 -6.665265927e-01 3.60 -6.509853502e-01 3.62 -6.356797674e-01 3.64 -6.206127424e-01 3.66 -6.057867268e-01 3.68 -5.912037483e-01 3.70 -5.768654329e-01 3.72 -5.627730260e-01 3.74 -5.489274134e-01 3.76 -5.353291414e-01 3.78 -5.219784354e-01 3.80 -5.088752196e-01 3.82 -4.960191341e-01 3.84 -4.834095527e-01 3.86 -4.710455994e-01 3.88 -4.589261647e-01 3.90 -4.470499204e-01 3.92 -4.354153351e-01 3.94 -4.240206880e-01 3.96 -4.128640825e-01 3.98 -4.019434594e-01 4.00 -3.912566090e-01 4.02 -3.808011833e-01 4.04 -3.705747074e-01 4.06 -3.605745901e-01 4.08 -3.507981343e-01 4.10 -3.412425469e-01 4.12 -3.319049484e-01 4.14 -3.227823812e-01 4.16 -3.138718186e-01 4.18 -3.051701727e-01 4.20 -2.966743020e-01 4.22 -2.883810185e-01 4.24 -2.802870946e-01 4.26 -2.723892696e-01 4.28 -2.646842559e-01 4.30 -2.571687444e-01 4.32 -2.498394103e-01 4.34 -2.426929179e-01 4.36 -2.357259256e-01 4.38 -2.289350903e-01 4.40 -2.223170716e-01 4.42 -2.158685359e-01 4.44 -2.095861597e-01 4.46 -2.034666336e-01 4.48 -1.975066650e-01 4.50 -1.917029814e-01 4.52 -1.860523330e-01 4.54 -1.805514953e-01 4.56 -1.751972714e-01 4.58 -1.699864943e-01 4.60 -1.649160289e-01 4.62 -1.599827736e-01 4.64 -1.551836623e-01 4.66 -1.505156655e-01 4.68 -1.459757922e-01 4.70 -1.415610905e-01 4.72 -1.372686493e-01 4.74 -1.330955990e-01 4.76 -1.290391121e-01 4.78 -1.250964045e-01 4.80 -1.212647358e-01 4.82 -1.175414099e-01 4.84 -1.139237754e-01 4.86 -1.104092262e-01 4.88 -1.069952014e-01 4.90 -1.036791860e-01 4.92 -1.001374998e-01 4.94 -9.241177338e-02 4.96 -7.143732632e-02 4.98 -3.184085308e-02 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00