# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Mason-D-R-Nguyen-Manh-D-Becquart-C-S--W # implementation = 2017--Mason-D-R--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 3.004761802e+06 0.04 1.194663830e+06 0.06 6.511163478e+05 0.08 4.065208653e+05 0.10 2.740918134e+05 0.12 1.942524170e+05 0.14 1.426223364e+05 0.16 1.075495526e+05 0.18 8.283672370e+04 0.20 6.492113804e+04 0.22 5.163123819e+04 0.24 4.158213394e+04 0.26 3.385836746e+04 0.28 2.783691023e+04 0.30 2.308337231e+04 0.32 1.928861034e+04 0.34 1.622867844e+04 0.36 1.373879818e+04 0.38 1.169602692e+04 0.40 1.000747547e+04 0.42 8.602151733e+03 0.44 7.425223200e+03 0.46 6.433922962e+03 0.48 5.594590327e+03 0.50 4.880506331e+03 0.52 4.270293341e+03 0.54 3.746719795e+03 0.56 3.295799089e+03 0.58 2.906104200e+03 0.60 2.568242035e+03 0.62 2.274447067e+03 0.64 2.018264830e+03 0.66 1.794303614e+03 0.68 1.598038332e+03 0.70 1.425654566e+03 0.72 1.273923793e+03 0.74 1.140102946e+03 0.76 1.021853106e+03 0.78 9.171733110e+02 0.80 8.243464009e+02 0.82 7.418944763e+02 0.84 6.685420998e+02 0.86 6.031857529e+02 0.88 5.448683782e+02 0.90 4.927580740e+02 0.92 4.461301961e+02 0.94 4.043522675e+02 0.96 3.668712128e+02 0.98 3.332025236e+02 1.00 3.029210357e+02 1.02 2.755736605e+02 1.04 2.505481603e+02 1.06 2.274399414e+02 1.08 2.060430030e+02 1.10 1.862635095e+02 1.12 1.680622787e+02 1.14 1.514181647e+02 1.16 1.363062935e+02 1.18 1.226866301e+02 1.20 1.104995198e+02 1.22 9.966573991e+01 1.24 9.008927223e+01 1.26 8.166152478e+01 1.28 7.426611413e+01 1.30 6.778361124e+01 1.32 6.209586672e+01 1.34 5.708968826e+01 1.36 5.265975587e+01 1.38 4.871074018e+01 1.40 4.515864380e+01 1.42 4.193142171e+01 1.44 3.896895903e+01 1.46 3.622249639e+01 1.48 3.365359837e+01 1.50 3.123275988e+01 1.52 2.893970156e+01 1.54 2.676608042e+01 1.56 2.470623563e+01 1.58 2.275478591e+01 1.60 2.090661395e+01 1.62 1.915685168e+01 1.64 1.750086647e+01 1.66 1.593424803e+01 1.68 1.445279617e+01 1.70 1.305250924e+01 1.72 1.172957320e+01 1.74 1.048035146e+01 1.76 9.301375177e+00 1.78 8.189334246e+00 1.80 7.141068732e+00 1.82 6.153560882e+00 1.84 5.223927575e+00 1.86 4.349413244e+00 1.88 3.527383216e+00 1.90 2.755317451e+00 1.92 2.030804671e+00 1.94 1.351536832e+00 1.96 7.153039434e-01 1.98 1.199891979e-01 2.00 -4.364355963e-01 2.02 -9.560259826e-01 2.04 -1.441165297e+00 2.06 -1.894168924e+00 2.08 -2.317173016e+00 2.10 -2.712144666e+00 2.12 -3.080891874e+00 2.14 -3.425073311e+00 2.16 -3.746207909e+00 2.18 -4.045684256e+00 2.20 -4.324761157e+00 2.22 -4.584471041e+00 2.24 -4.825669577e+00 2.26 -5.049127480e+00 2.28 -5.255540721e+00 2.30 -5.445538846e+00 2.32 -5.619693191e+00 2.34 -5.778524982e+00 2.36 -5.922513345e+00 2.38 -6.052103221e+00 2.40 -6.167713204e+00 2.42 -6.269743293e+00 2.44 -6.358582566e+00 2.46 -6.434616800e+00 2.48 -6.498236003e+00 2.50 -6.549841910e+00 2.52 -6.589855400e+00 2.54 -6.618723877e+00 2.56 -6.636928587e+00 2.58 -6.644991905e+00 2.60 -6.643484560e+00 2.62 -6.633032835e+00 2.64 -6.614325723e+00 2.66 -6.588122049e+00 2.68 -6.555257559e+00 2.70 -6.516651979e+00 2.72 -6.473194372e+00 2.74 -6.425343776e+00 2.76 -6.373423331e+00 2.78 -6.317723862e+00 2.80 -6.258513507e+00 2.82 -6.196041201e+00 2.84 -6.130536495e+00 2.86 -6.062209362e+00 2.88 -5.991250019e+00 2.90 -5.917828742e+00 2.92 -5.842095688e+00 2.94 -5.764180721e+00 2.96 -5.684193232e+00 2.98 -5.602221972e+00 3.00 -5.518334878e+00 3.02 -5.432578910e+00 3.04 -5.344979883e+00 3.06 -5.255542304e+00 3.08 -5.164249215e+00 3.10 -5.071062030e+00 3.12 -4.975920383e+00 3.14 -4.878741974e+00 3.16 -4.779422416e+00 3.18 -4.677837900e+00 3.20 -4.573912598e+00 3.22 -4.467717438e+00 3.24 -4.359449706e+00 3.26 -4.249392900e+00 3.28 -4.137882159e+00 3.30 -4.025275083e+00 3.32 -3.911927772e+00 3.34 -3.798175906e+00 3.36 -3.684320685e+00 3.38 -3.570619463e+00 3.40 -3.457280875e+00 3.42 -3.344464311e+00 3.44 -3.232283529e+00 3.46 -3.120814253e+00 3.48 -3.010105561e+00 3.50 -2.900194903e+00 3.52 -2.791126544e+00 3.54 -2.682970806e+00 3.56 -2.575818218e+00 3.58 -2.469760617e+00 3.60 -2.364889038e+00 3.62 -2.261293623e+00 3.64 -2.159063521e+00 3.66 -2.058286796e+00 3.68 -1.959050341e+00 3.70 -1.861439784e+00 3.72 -1.765539407e+00 3.74 -1.671432061e+00 3.76 -1.579199086e+00 3.78 -1.488920231e+00 3.80 -1.400673581e+00 3.82 -1.314535481e+00 3.84 -1.230580464e+00 3.86 -1.148881183e+00 3.88 -1.069508344e+00 3.90 -9.925306432e-01 3.92 -9.180147010e-01 3.94 -8.460250066e-01 3.96 -7.766238579e-01 3.98 -7.098713075e-01 4.00 -6.458251098e-01 4.02 -5.845406707e-01 4.04 -5.260709993e-01 4.06 -4.704666626e-01 4.08 -4.177757420e-01 4.10 -3.680437923e-01 4.12 -3.213138031e-01 4.14 -2.776261625e-01 4.16 -2.370186519e-01 4.18 -1.995264386e-01 4.20 -1.651817163e-01 4.22 -1.340140143e-01 4.24 -1.060318204e-01 4.26 -8.125302942e-02 4.28 -5.973338212e-02 4.30 -4.150565716e-02 4.32 -2.658549543e-02 4.34 -1.497744061e-02 4.36 -6.679883614e-03 4.38 -1.688910959e-03 4.40 -9.486581565e-07 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