# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--W # implementation = 2001--Lee-B-J--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 4.939180717e+02 0.04 4.741846557e+02 0.06 4.544708592e+02 0.08 4.349774215e+02 0.10 4.158481598e+02 0.12 3.971839374e+02 0.14 3.790533174e+02 0.16 3.615006761e+02 0.18 3.445523695e+02 0.20 3.282214105e+02 0.22 3.125110094e+02 0.24 2.974172472e+02 0.26 2.829310882e+02 0.28 2.690398905e+02 0.30 2.557285359e+02 0.32 2.429802707e+02 0.34 2.307773296e+02 0.36 2.191013941e+02 0.38 2.079339286e+02 0.40 1.972564232e+02 0.42 1.870505670e+02 0.44 1.772983714e+02 0.46 1.679822533e+02 0.48 1.590850915e+02 0.50 1.505902622e+02 0.52 1.424816584e+02 0.54 1.347437002e+02 0.56 1.273613355e+02 0.58 1.203200365e+02 0.60 1.136057916e+02 0.62 1.072050948e+02 0.64 1.011049337e+02 0.66 9.529277618e+01 0.68 8.975655652e+01 0.70 8.448466107e+01 0.72 7.946591412e+01 0.74 7.468956372e+01 0.76 7.014526779e+01 0.78 6.582308031e+01 0.80 6.171343810e+01 0.82 5.780714773e+01 0.84 5.409537289e+01 0.86 5.056962209e+01 0.88 4.722173669e+01 0.90 4.404387938e+01 0.92 4.102852287e+01 0.94 3.816843908e+01 0.96 3.545668851e+01 0.98 3.288661003e+01 1.00 3.045181096e+01 1.02 2.814615748e+01 1.04 2.596376528e+01 1.06 2.389899053e+01 1.08 2.194642119e+01 1.10 2.010086847e+01 1.12 1.835735874e+01 1.14 1.671112548e+01 1.16 1.515760169e+01 1.18 1.369241241e+01 1.20 1.231136757e+01 1.22 1.101045502e+01 1.24 9.785833829e+00 1.26 8.633827764e+00 1.28 7.550919047e+00 1.30 6.533742283e+00 1.32 5.579078611e+00 1.34 4.683850044e+00 1.36 3.845114030e+00 1.38 3.060058186e+00 1.40 2.325995226e+00 1.42 1.640358067e+00 1.44 1.000695111e+00 1.46 4.046657045e-01 1.48 -1.499642366e-01 1.50 -6.653264446e-01 1.52 -1.143454358e+00 1.54 -1.586287024e+00 1.56 -1.995672850e+00 1.58 -2.373373216e+00 1.60 -2.721065938e+00 1.62 -3.040348606e+00 1.64 -3.332741776e+00 1.66 -3.599692040e+00 1.68 -3.842574961e+00 1.70 -4.062697900e+00 1.72 -4.261302707e+00 1.74 -4.439568303e+00 1.76 -4.598613144e+00 1.78 -4.739497580e+00 1.80 -4.863226099e+00 1.82 -4.970749466e+00 1.84 -5.062966760e+00 1.86 -5.140727311e+00 1.88 -5.204832534e+00 1.90 -5.256037680e+00 1.92 -5.295053478e+00 1.94 -5.322547708e+00 1.96 -5.339146677e+00 1.98 -5.345436629e+00 2.00 -5.341965083e+00 2.02 -5.329242111e+00 2.04 -5.307741570e+00 2.06 -5.277902311e+00 2.08 -5.240129371e+00 2.10 -5.194795193e+00 2.12 -5.142240897e+00 2.14 -5.082777650e+00 2.16 -5.016688203e+00 2.18 -4.944228648e+00 2.20 -4.865630506e+00 2.22 -4.781103252e+00 2.24 -4.690837397e+00 2.26 -4.595008321e+00 2.28 -4.493781016e+00 2.30 -4.387315963e+00 2.32 -4.275776378e+00 2.34 -4.159337038e+00 2.36 -4.038194906e+00 2.38 -3.912581680e+00 2.40 -3.782778280e+00 2.42 -3.649131086e+00 2.44 -3.512069423e+00 2.46 -3.372123397e+00 2.48 -3.229940661e+00 2.50 -3.086300115e+00 2.52 -2.942119958e+00 2.54 -2.798457096e+00 2.56 -2.656494796e+00 2.58 -2.517515886e+00 2.60 -2.382859976e+00 2.62 -2.253865070e+00 2.64 -2.131796551e+00 2.66 -2.017769362e+00 2.68 -1.912671738e+00 2.70 -1.817100267e+00 2.72 -1.731315793e+00 2.74 -1.655227452e+00 2.76 -1.588408259e+00 2.78 -1.530140823e+00 2.80 -1.479487161e+00 2.82 -1.435373037e+00 2.84 -1.396675702e+00 2.86 -1.362304294e+00 2.88 -1.331264398e+00 2.90 -1.302701647e+00 2.92 -1.275922979e+00 2.94 -1.250397655e+00 2.96 -1.225742612e+00 2.98 -1.201698062e+00 3.00 -1.178099234e+00 3.02 -1.154849106e+00 3.04 -1.131895309e+00 3.06 -1.109212614e+00 3.08 -1.086790933e+00 3.10 -1.064627883e+00 3.12 -1.042724615e+00 3.14 -1.021083701e+00 3.16 -9.997081610e-01 3.18 -9.786010656e-01 3.20 -9.577653770e-01 3.22 -9.372038909e-01 3.24 -9.169192105e-01 3.26 -8.969137322e-01 3.28 -8.771896358e-01 3.30 -8.577488773e-01 3.32 -8.385931837e-01 3.34 -8.197240495e-01 3.36 -8.011427349e-01 3.38 -7.828502650e-01 3.40 -7.648474310e-01 3.42 -7.471347917e-01 3.44 -7.297126761e-01 3.46 -7.125811878e-01 3.48 -6.957402085e-01 3.50 -6.791894037e-01 3.52 -6.629282281e-01 3.54 -6.469559319e-01 3.56 -6.312715669e-01 3.58 -6.158739937e-01 3.60 -6.007618887e-01 3.62 -5.859337513e-01 3.64 -5.713879117e-01 3.66 -5.571225383e-01 3.68 -5.431356453e-01 3.70 -5.294251005e-01 3.72 -5.143387903e-01 3.74 -4.774087911e-01 3.76 -3.711677227e-01 3.78 -1.663731669e-01 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 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