# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Hiremath-P-Melin-S-Bitzek-E-Olsson-P-A-T--W # implementation = 2022--Hiremath-P--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 2022-05-24 r W W 0.02 3.095350321e+06 0.04 1.244899285e+06 0.06 6.885019365e+05 0.08 4.356036674e+05 0.10 2.974340589e+05 0.12 2.133816684e+05 0.14 1.585236575e+05 0.16 1.209043970e+05 0.18 9.414269811e+04 0.20 7.455662407e+04 0.22 5.989178690e+04 0.24 4.870269440e+04 0.26 4.002798251e+04 0.28 3.320891501e+04 0.30 2.778290679e+04 0.32 2.341832801e+04 0.34 1.987315676e+04 0.36 1.696802312e+04 0.38 1.456815610e+04 0.40 1.257104226e+04 0.42 1.089783811e+04 0.44 9.487282597e+03 0.46 8.291328337e+03 0.48 7.271963669e+03 0.50 6.398870021e+03 0.52 5.647681259e+03 0.54 4.998674841e+03 0.56 4.435778680e+03 0.58 3.945812776e+03 0.60 3.517903751e+03 0.62 3.143030319e+03 0.64 2.813668101e+03 0.66 2.523509392e+03 0.68 2.267241363e+03 0.70 2.040369163e+03 0.72 1.839073804e+03 0.74 1.660097711e+03 0.76 1.500651779e+03 0.78 1.358339535e+03 0.80 1.231095100e+03 0.82 1.117131983e+03 0.84 1.014900754e+03 0.86 9.230538990e+02 0.88 8.404164130e+02 0.90 7.659612131e+02 0.92 6.987884357e+02 0.94 6.381079300e+02 0.96 5.832244567e+02 0.98 5.335250765e+02 1.00 4.884683926e+02 1.02 4.475753611e+02 1.04 4.104213832e+02 1.06 3.766295110e+02 1.08 3.458645874e+02 1.10 3.178281646e+02 1.12 2.922541103e+02 1.14 2.689047837e+02 1.16 2.475677025e+02 1.18 2.280526414e+02 1.20 2.101890891e+02 1.22 1.938240218e+02 1.24 1.788199533e+02 1.26 1.650532670e+02 1.28 1.521339533e+02 1.30 1.389186409e+02 1.32 1.257117125e+02 1.34 1.128642419e+02 1.36 1.006143400e+02 1.38 8.911403819e+01 1.40 7.845067851e+01 1.42 6.866369474e+01 1.44 5.975768394e+01 1.46 5.171253091e+01 1.48 4.449120427e+01 1.50 3.804569563e+01 1.52 3.232150189e+01 1.54 2.726096280e+01 1.56 2.280570159e+01 1.58 1.889837043e+01 1.60 1.548385867e+01 1.62 1.251009061e+01 1.64 9.928510840e+00 1.66 7.694337200e+00 1.68 5.766642349e+00 1.70 4.108310455e+00 1.72 2.685908504e+00 1.74 1.469498812e+00 1.76 4.324146945e-01 1.78 -4.489829750e-01 1.80 -1.195558245e+00 1.82 -1.825651462e+00 1.84 -2.355323210e+00 1.86 -2.798587789e+00 1.88 -3.167632073e+00 1.90 -3.473018834e+00 1.92 -3.723874078e+00 1.94 -3.928057402e+00 1.96 -4.092316526e+00 1.98 -4.222426342e+00 2.00 -4.323313071e+00 2.02 -4.399165070e+00 2.04 -4.453530891e+00 2.06 -4.489405767e+00 2.08 -4.509307815e+00 2.10 -4.515344668e+00 2.12 -4.509271723e+00 2.14 -4.492542944e+00 2.16 -4.466354950e+00 2.18 -4.431685342e+00 2.20 -4.389325961e+00 2.22 -4.339911716e+00 2.24 -4.283945721e+00 2.26 -4.221821374e+00 2.28 -4.153853018e+00 2.30 -4.080324582e+00 2.32 -4.001507002e+00 2.34 -3.917662637e+00 2.36 -3.829050204e+00 2.38 -3.735930480e+00 2.40 -3.638572864e+00 2.42 -3.537262828e+00 2.44 -3.432310237e+00 2.46 -3.324058420e+00 2.48 -3.212893751e+00 2.50 -3.099255333e+00 2.52 -2.983644157e+00 2.54 -2.866630873e+00 2.56 -2.748861080e+00 2.58 -2.631056814e+00 2.60 -2.514012800e+00 2.62 -2.398586106e+00 2.64 -2.285678095e+00 2.66 -2.176208194e+00 2.68 -2.071079889e+00 2.70 -1.971140531e+00 2.72 -1.877137782e+00 2.74 -1.789676687e+00 2.76 -1.709182068e+00 2.78 -1.635870998e+00 2.80 -1.569739371e+00 2.82 -1.510565030e+00 2.84 -1.457927856e+00 2.86 -1.411244910e+00 2.88 -1.369816726e+00 2.90 -1.332879441e+00 2.92 -1.299656930e+00 2.94 -1.269407381e+00 2.96 -1.241460183e+00 2.98 -1.215240636e+00 3.00 -1.190281715e+00 3.02 -1.166224029e+00 3.04 -1.142806456e+00 3.06 -1.119850748e+00 3.08 -1.097243499e+00 3.10 -1.074918394e+00 3.12 -1.052840787e+00 3.14 -1.030995638e+00 3.16 -1.009378979e+00 3.18 -9.879924192e-01 3.20 -9.668399484e-01 3.22 -9.459262610e-01 3.24 -9.252559768e-01 3.26 -9.048333271e-01 3.28 -8.846620583e-01 3.30 -8.647454212e-01 3.32 -8.450861914e-01 3.34 -8.256866985e-01 3.36 -8.065488553e-01 3.38 -7.876741878e-01 3.40 -7.690638631e-01 3.42 -7.507187156e-01 3.44 -7.326392733e-01 3.46 -7.148257814e-01 3.48 -6.972782253e-01 3.50 -6.799963522e-01 3.52 -6.629796919e-01 3.54 -6.462275758e-01 3.56 -6.297391552e-01 3.58 -6.135134184e-01 3.60 -5.975492067e-01 3.62 -5.818452295e-01 3.64 -5.664000782e-01 3.66 -5.512122394e-01 3.68 -5.362801073e-01 3.70 -5.216019944e-01 3.72 -5.071761427e-01 3.74 -4.930007329e-01 3.76 -4.790738936e-01 3.78 -4.653937094e-01 3.80 -4.519582285e-01 3.82 -4.387654694e-01 3.84 -4.258134273e-01 3.86 -4.131000800e-01 3.88 -4.006233925e-01 3.90 -3.883813217e-01 3.92 -3.763718210e-01 3.94 -3.645928433e-01 3.96 -3.530423446e-01 3.98 -3.417182864e-01 4.00 -3.306186384e-01 4.02 -3.197413807e-01 4.04 -3.090845049e-01 4.06 -2.986460159e-01 4.08 -2.884239331e-01 4.10 -2.784162910e-01 4.12 -2.686211397e-01 4.14 -2.590365457e-01 4.16 -2.496605915e-01 4.18 -2.404913759e-01 4.20 -2.315270139e-01 4.22 -2.227656360e-01 4.24 -2.142053878e-01 4.26 -2.058444296e-01 4.28 -1.976809353e-01 4.30 -1.897130918e-01 4.32 -1.819390980e-01 4.34 -1.743571639e-01 4.36 -1.669655094e-01 4.38 -1.597623632e-01 4.40 -1.527459616e-01 4.42 -1.459145477e-01 4.44 -1.392663696e-01 4.46 -1.327996797e-01 4.48 -1.265127331e-01 4.50 -1.204037867e-01 4.52 -1.144710975e-01 4.54 -1.087129222e-01 4.56 -1.031275151e-01 4.58 -9.771312759e-02 4.60 -9.246800680e-02 4.62 -8.739039450e-02 4.64 -8.247852609e-02 4.66 -7.773062958e-02 4.68 -7.314492463e-02 4.70 -6.871962166e-02 4.72 -6.445292095e-02 4.74 -6.034301190e-02 4.76 -5.638807222e-02 4.78 -5.258626728e-02 4.80 -4.893574949e-02 4.82 -4.543465770e-02 4.84 -4.208111673e-02 4.86 -3.887323690e-02 4.88 -3.580911369e-02 4.90 -3.288682740e-02 4.92 -3.010444290e-02 4.94 -2.746000944e-02 4.96 -2.495156055e-02 4.98 -2.257711397e-02 5.00 -2.033467162e-02 5.02 -1.822221971e-02 5.04 -1.623772883e-02 5.06 -1.437915414e-02 5.08 -1.264443559e-02 5.10 -1.103149823e-02 5.12 -9.538252591e-03 5.14 -8.162595000e-03 5.16 -6.902408109e-03 5.18 -5.755561360e-03 5.20 -4.719911538e-03 5.22 -3.793303371e-03 5.24 -2.973570157e-03 5.26 -2.258534449e-03 5.28 -1.646008770e-03 5.30 -1.133796368e-03 5.32 -7.196920027e-04 5.34 -4.014827723e-04 5.36 -1.769489621e-04 5.38 -4.386492733e-05 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