# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Oh-Y-Ko-W-S-Kwak-N-et-al--W # implementation = 2022--Oh-Y--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 2026-08-31 r W W 0.02 1.543932434e+03 0.04 1.469396110e+03 0.06 1.396067857e+03 0.08 1.324611859e+03 0.10 1.255464193e+03 0.12 1.188895792e+03 0.14 1.125058827e+03 0.16 1.064020774e+03 0.18 1.005789379e+03 0.20 9.503308809e+02 0.22 8.975832648e+02 0.24 8.474658596e+02 0.26 7.998862489e+02 0.28 7.547452146e+02 0.30 7.119402451e+02 0.32 6.713679970e+02 0.34 6.329259991e+02 0.36 5.965138086e+02 0.38 5.620337738e+02 0.40 5.293915159e+02 0.42 4.984962107e+02 0.44 4.692607299e+02 0.46 4.416016857e+02 0.48 4.154394068e+02 0.50 3.906978708e+02 0.52 3.673046060e+02 0.54 3.451905759e+02 0.56 3.242900522e+02 0.58 3.045404827e+02 0.60 2.858823576e+02 0.62 2.682590772e+02 0.64 2.516168208e+02 0.66 2.359044209e+02 0.68 2.210732400e+02 0.70 2.070770529e+02 0.72 1.938719333e+02 0.74 1.814161456e+02 0.76 1.696700407e+02 0.78 1.585959569e+02 0.80 1.481581251e+02 0.82 1.383225782e+02 0.84 1.290570650e+02 0.86 1.203309674e+02 0.88 1.121152218e+02 0.90 1.043822443e+02 0.92 9.710585902e+01 0.94 9.026122970e+01 0.96 8.382479477e+01 0.98 7.777420524e+01 1.00 7.208826550e+01 1.02 6.674687688e+01 1.04 6.173098390e+01 1.06 5.702252295e+01 1.08 5.260437346e+01 1.10 4.846031133e+01 1.12 4.457496455e+01 1.14 4.093377092e+01 1.16 3.752293780e+01 1.18 3.432940372e+01 1.20 3.134080191e+01 1.22 2.854542547e+01 1.24 2.593219426e+01 1.26 2.349062343e+01 1.28 2.121079335e+01 1.30 1.908332112e+01 1.32 1.709933337e+01 1.34 1.525044045e+01 1.36 1.352871185e+01 1.38 1.192665284e+01 1.40 1.043718225e+01 1.42 9.053611363e+00 1.44 7.769623855e+00 1.46 6.579256750e+00 1.48 5.476882315e+00 1.50 4.457190888e+00 1.52 3.515174571e+00 1.54 2.646111769e+00 1.56 1.845552522e+00 1.58 1.109304608e+00 1.60 4.334203719e-01 1.62 -1.858157422e-01 1.64 -7.518989892e-01 1.66 -1.268115484e+00 1.68 -1.737552751e+00 1.70 -2.163109685e+00 1.72 -2.547505967e+00 1.74 -2.893290934e+00 1.76 -3.202851967e+00 1.78 -3.478422393e+00 1.80 -3.722088951e+00 1.82 -3.935798855e+00 1.84 -4.121366491e+00 1.86 -4.280479793e+00 1.88 -4.414706354e+00 1.90 -4.525499343e+00 1.92 -4.614203306e+00 1.94 -4.682059952e+00 1.96 -4.730214053e+00 1.98 -4.759719605e+00 2.00 -4.771546446e+00 2.02 -4.766587552e+00 2.04 -4.745667292e+00 2.06 -4.709550944e+00 2.08 -4.658955842e+00 2.10 -4.594564539e+00 2.12 -4.517040371e+00 2.14 -4.427045786e+00 2.16 -4.325263678e+00 2.18 -4.212421791e+00 2.20 -4.089319901e+00 2.22 -3.956859012e+00 2.24 -3.816071118e+00 2.26 -3.668147258e+00 2.28 -3.514460619e+00 2.30 -3.356580555e+00 2.32 -3.196272696e+00 2.34 -3.035480252e+00 2.36 -2.876282365e+00 2.38 -2.720827383e+00 2.40 -2.571242155e+00 2.42 -2.429522636e+00 2.44 -2.297415692e+00 2.46 -2.176305724e+00 2.48 -2.067121590e+00 2.50 -1.970278340e+00 2.52 -1.885664107e+00 2.54 -1.812675912e+00 2.56 -1.750300341e+00 2.58 -1.697227868e+00 2.60 -1.651984630e+00 2.62 -1.613063676e+00 2.64 -1.579039300e+00 2.66 -1.548652447e+00 2.68 -1.520861198e+00 2.70 -1.494856729e+00 2.72 -1.470050490e+00 2.74 -1.446041796e+00 2.76 -1.422576063e+00 2.78 -1.399502677e+00 2.80 -1.376738741e+00 2.82 -1.354241674e+00 2.84 -1.331990803e+00 2.86 -1.309976361e+00 2.88 -1.288193610e+00 2.90 -1.266640051e+00 2.92 -1.245314231e+00 2.94 -1.224215272e+00 2.96 -1.203342680e+00 2.98 -1.182696257e+00 3.00 -1.162276036e+00 3.02 -1.142082235e+00 3.04 -1.122115215e+00 3.06 -1.102375439e+00 3.08 -1.082863444e+00 3.10 -1.063579805e+00 3.12 -1.044525119e+00 3.14 -1.025699975e+00 3.16 -1.007104936e+00 3.18 -9.887405262e-01 3.20 -9.706072146e-01 3.22 -9.527054022e-01 3.24 -9.350354136e-01 3.26 -9.175974881e-01 3.28 -9.003917733e-01 3.30 -8.834183202e-01 3.32 -8.666770789e-01 3.34 -8.501678959e-01 3.36 -8.338905126e-01 3.38 -8.178445641e-01 3.40 -8.020295791e-01 3.42 -7.864449806e-01 3.44 -7.710900867e-01 3.46 -7.559641126e-01 3.48 -7.410661726e-01 3.50 -7.263952823e-01 3.52 -7.119503616e-01 3.54 -6.977302376e-01 3.56 -6.837336478e-01 3.58 -6.699592439e-01 3.60 -6.564055948e-01 3.62 -6.430711904e-01 3.64 -6.299544458e-01 3.66 -6.170537042e-01 3.68 -6.043672415e-01 3.70 -5.918932698e-01 3.72 -5.796299409e-01 3.74 -5.675753503e-01 3.76 -5.557275410e-01 3.78 -5.440845071e-01 3.80 -5.326441969e-01 3.82 -5.214045171e-01 3.84 -5.103633356e-01 3.86 -4.995184853e-01 3.88 -4.888677668e-01 3.90 -4.784089521e-01 3.92 -4.681397870e-01 3.94 -4.580579947e-01 3.96 -4.481612779e-01 3.98 -4.384473219e-01 4.00 -4.289137973e-01 4.02 -4.195583537e-01 4.04 -4.103785331e-01 4.06 -4.013716943e-01 4.08 -3.925350275e-01 4.10 -3.838655755e-01 4.12 -3.753602546e-01 4.14 -3.670158733e-01 4.16 -3.588291510e-01 4.18 -3.507967341e-01 4.20 -3.429152126e-01 4.22 -3.351811345e-01 4.24 -3.275910196e-01 4.26 -3.201413730e-01 4.28 -3.128286964e-01 4.30 -3.056494997e-01 4.32 -2.986003115e-01 4.34 -2.916776884e-01 4.36 -2.848782240e-01 4.38 -2.781985573e-01 4.40 -2.716353804e-01 4.42 -2.651854450e-01 4.44 -2.588455691e-01 4.46 -2.526126430e-01 4.48 -2.464836343e-01 4.50 -2.404555929e-01 4.52 -2.345256556e-01 4.54 -2.286910496e-01 4.56 -2.229490966e-01 4.58 -2.172972154e-01 4.60 -2.117329252e-01 4.62 -2.062538478e-01 4.64 -2.008577096e-01 4.66 -1.955423439e-01 4.68 -1.903056918e-01 4.70 -1.851458039e-01 4.72 -1.800608411e-01 4.74 -1.750490756e-01 4.76 -1.701088908e-01 4.78 -1.652387822e-01 4.80 -1.604373573e-01 4.82 -1.557033351e-01 4.84 -1.510355462e-01 4.86 -1.464329321e-01 4.88 -1.418945444e-01 4.90 -1.374195440e-01 4.92 -1.330071999e-01 4.94 -1.286568884e-01 4.96 -1.243680912e-01 4.98 -1.201403943e-01 5.00 -1.159734859e-01 5.02 -1.118671552e-01 5.04 -1.078212901e-01 5.06 -1.038358752e-01 5.08 -9.991098934e-02 5.10 -9.604680395e-02 5.12 -9.224358014e-02 5.14 -8.850166634e-02 5.16 -8.482149572e-02 5.18 -8.120358339e-02 5.20 -7.764852367e-02 5.22 -7.415698710e-02 5.24 -7.072971755e-02 5.26 -6.736752904e-02 5.28 -6.407130268e-02 5.30 -6.084198341e-02 5.32 -5.768057672e-02 5.34 -5.458814528e-02 5.36 -5.156580555e-02 5.38 -4.861472433e-02 5.40 -4.573611520e-02 5.42 -4.293123503e-02 5.44 -4.020138031e-02 5.46 -3.754788361e-02 5.48 -3.497210986e-02 5.50 -3.247545268e-02 5.52 -3.005933074e-02 5.54 -2.772518397e-02 5.56 -2.547446994e-02 5.58 -2.330866007e-02 5.60 -2.122923595e-02 5.62 -1.923768565e-02 5.64 -1.733550002e-02 5.66 -1.552416903e-02 5.68 -1.380517812e-02 5.70 -1.218000462e-02 5.72 -1.065011414e-02 5.74 -9.216957053e-03 5.76 -7.881965030e-03 5.78 -6.646547594e-03 5.80 -5.512088661e-03 5.82 -4.479943365e-03 5.84 -3.551434717e-03 5.86 -2.727850430e-03 5.88 -2.010439817e-03 5.90 -1.400410756e-03 5.92 -8.989267449e-04 5.94 -5.071040359e-04 5.96 -2.260088636e-04 5.98 -5.665476566e-05 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