# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Oliveira-D-S--Ni # implementation = 2026--Oliveira-D-S--Ni--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 2026-06-16 r Ni Ni 0.02 -5.830164177e+04 0.04 -5.008575253e+04 0.06 -4.284620219e+04 0.08 -3.648736498e+04 0.10 -3.092116392e+04 0.12 -2.606659987e+04 0.14 -2.184930293e+04 0.16 -1.820110577e+04 0.18 -1.505963786e+04 0.20 -1.236793997e+04 0.22 -1.007409819e+04 0.24 -8.130896721e+03 0.26 -6.495488839e+03 0.28 -5.129085219e+03 0.30 -3.996659056e+03 0.32 -3.066667303e+03 0.34 -2.310787383e+03 0.36 -1.703668790e+03 0.38 -1.222698947e+03 0.40 -8.477827666e+02 0.42 -5.611353066e+02 0.44 -3.470870461e+02 0.46 -1.919011050e+02 0.48 -8.360206634e+01 0.50 -1.181571235e+01 0.52 3.238071228e+01 0.54 5.659818113e+01 0.56 6.726607435e+01 0.58 6.975324747e+01 0.60 6.848037824e+01 0.62 6.660615963e+01 0.64 6.477791446e+01 0.66 6.298817173e+01 0.68 6.123008067e+01 0.70 5.949746214e+01 0.72 5.778484704e+01 0.74 5.608745252e+01 0.76 5.440119115e+01 0.78 5.272265802e+01 0.80 5.104911078e+01 0.82 4.937846088e+01 0.84 4.770924126e+01 0.86 4.604057884e+01 0.88 4.437215945e+01 0.90 4.270420722e+01 0.92 4.103742455e+01 0.94 3.937296599e+01 0.96 3.771239581e+01 0.98 3.605762591e+01 1.00 3.441088670e+01 1.02 3.277468833e+01 1.04 3.115174166e+01 1.06 2.954493563e+01 1.08 2.795728006e+01 1.10 2.639187240e+01 1.12 2.485183757e+01 1.14 2.334029485e+01 1.16 2.186030793e+01 1.18 2.041486219e+01 1.20 1.900680808e+01 1.22 1.763884583e+01 1.24 1.631347652e+01 1.26 1.503300011e+01 1.28 1.379946532e+01 1.30 1.261467938e+01 1.32 1.148015206e+01 1.34 1.039712553e+01 1.36 9.366542752e+00 1.38 8.389036575e+00 1.40 7.464951646e+00 1.42 6.594322627e+00 1.44 5.776896063e+00 1.46 5.012132615e+00 1.48 4.299220461e+00 1.50 3.637091065e+00 1.52 3.024435968e+00 1.54 2.459727787e+00 1.56 1.941241556e+00 1.58 1.467079530e+00 1.60 1.035197194e+00 1.62 6.434271315e-01 1.64 2.895097422e-01 1.66 -2.888218663e-02 1.68 -3.141145617e-01 1.70 -5.685646812e-01 1.72 -7.945964508e-01 1.74 -9.945340407e-01 1.76 -1.170639453e+00 1.78 -1.325090625e+00 1.80 -1.459962825e+00 1.82 -1.577211201e+00 1.84 -1.678657971e+00 1.86 -1.765981716e+00 1.88 -1.840710005e+00 1.90 -1.904214495e+00 1.92 -1.957712654e+00 1.94 -2.002269230e+00 1.96 -2.038804365e+00 1.98 -2.068102534e+00 2.00 -2.090826331e+00 2.02 -2.107533218e+00 2.04 -2.118693685e+00 2.06 -2.124712224e+00 2.08 -2.125948976e+00 2.10 -2.122743164e+00 2.12 -2.115434888e+00 2.14 -2.104386705e+00 2.16 -2.090002250e+00 2.18 -2.072740809e+00 2.20 -2.053127449e+00 2.22 -2.031681766e+00 2.24 -2.008685556e+00 2.26 -1.984346341e+00 2.28 -1.958854630e+00 2.30 -1.932384715e+00 2.32 -1.905094751e+00 2.34 -1.877127521e+00 2.36 -1.848610466e+00 2.38 -1.819657749e+00 2.40 -1.790370110e+00 2.42 -1.760836433e+00 2.44 -1.731134967e+00 2.46 -1.701334693e+00 2.48 -1.671496328e+00 2.50 -1.641673732e+00 2.52 -1.611915046e+00 2.54 -1.582264079e+00 2.56 -1.552760871e+00 2.58 -1.523442709e+00 2.60 -1.494344564e+00 2.62 -1.465490110e+00 2.64 -1.436868242e+00 2.66 -1.408458958e+00 2.68 -1.380241224e+00 2.70 -1.352193000e+00 2.72 -1.324291326e+00 2.74 -1.296512419e+00 2.76 -1.268831754e+00 2.78 -1.241224085e+00 2.80 -1.213663528e+00 2.82 -1.186123661e+00 2.84 -1.158577556e+00 2.86 -1.130997805e+00 2.88 -1.103356615e+00 2.90 -1.075625802e+00 2.92 -1.047776842e+00 2.94 -1.019780854e+00 2.96 -9.916086818e-01 2.98 -9.632308122e-01 3.00 -9.346174396e-01 3.02 -9.057531851e-01 3.04 -8.766769677e-01 3.06 -8.474411137e-01 3.08 -8.180991071e-01 3.10 -7.887056414e-01 3.12 -7.593166431e-01 3.14 -7.299892772e-01 3.16 -7.007819830e-01 3.18 -6.717544417e-01 3.20 -6.429676048e-01 3.22 -6.144836627e-01 3.24 -5.863660389e-01 3.26 -5.586793491e-01 3.28 -5.314893867e-01 3.30 -5.048630588e-01 3.32 -4.788683348e-01 3.34 -4.535742050e-01 3.36 -4.290505933e-01 3.38 -4.053682839e-01 3.40 -3.825988313e-01 3.42 -3.607972668e-01 3.44 -3.399565894e-01 3.46 -3.200550712e-01 3.48 -3.010702351e-01 3.50 -2.829788764e-01 3.52 -2.657570861e-01 3.54 -2.493803064e-01 3.56 -2.338233359e-01 3.58 -2.190603818e-01 3.60 -2.050650659e-01 3.62 -1.918104813e-01 3.64 -1.792691990e-01 3.66 -1.674133077e-01 3.68 -1.562144340e-01 3.70 -1.456437752e-01 3.72 -1.356721168e-01 3.74 -1.262698638e-01 3.76 -1.174070581e-01 3.78 -1.090534025e-01 3.80 -1.011782813e-01 3.82 -9.375560447e-02 3.84 -8.677627083e-02 3.86 -8.023484660e-02 3.88 -7.412574471e-02 3.90 -6.844322625e-02 3.92 -6.318141020e-02 3.94 -5.833427793e-02 3.96 -5.389568100e-02 3.98 -4.985934578e-02 4.00 -4.621888083e-02 4.02 -4.296777952e-02 4.04 -4.009942733e-02 4.06 -3.760710541e-02 4.08 -3.548399307e-02 4.10 -3.372317237e-02 4.12 -3.231762924e-02 4.14 -3.126025595e-02 4.16 -3.054385018e-02 4.18 -3.016111536e-02 4.20 -3.010465841e-02 4.22 -3.036230652e-02 4.24 -3.090528815e-02 4.26 -3.170113752e-02 4.28 -3.271735752e-02 4.30 -3.392144019e-02 4.32 -3.528088486e-02 4.34 -3.676321699e-02 4.36 -3.833600020e-02 4.38 -3.996685013e-02 4.40 -4.162344210e-02 4.42 -4.327351927e-02 4.44 -4.488489696e-02 4.46 -4.642545887e-02 4.48 -4.786315950e-02 4.50 -4.916601625e-02 4.52 -5.030209511e-02 4.54 -5.123950215e-02 4.56 -5.194635773e-02 4.58 -5.239077920e-02 4.60 -5.254084901e-02 4.62 -5.237423868e-02 4.64 -5.190217633e-02 4.66 -5.114311804e-02 4.68 -5.011543470e-02 4.70 -4.883743151e-02 4.72 -4.732736318e-02 4.74 -4.560345226e-02 4.76 -4.368390229e-02 4.78 -4.158691846e-02 4.80 -3.933071799e-02 4.82 -3.693354470e-02 4.84 -3.441368543e-02 4.86 -3.178947898e-02 4.88 -2.907932958e-02 4.90 -2.630171430e-02 4.92 -2.347519286e-02 4.94 -2.061841454e-02 4.96 -1.775012294e-02 4.98 -1.488915933e-02 5.00 -1.205446385e-02 5.02 -9.263476518e-03 5.04 -6.528202350e-03 5.06 -3.859486657e-03 5.08 -1.268075004e-03 5.10 1.235304334e-03 5.12 3.638816353e-03 5.14 5.930715120e-03 5.16 8.099498684e-03 5.18 1.013391756e-02 5.20 1.202297349e-02 5.22 1.375590838e-02 5.24 1.532218368e-02 5.26 1.671145061e-02 5.28 1.791351204e-02 5.30 1.891827706e-02 5.32 1.971570980e-02 5.34 2.029577428e-02 5.36 2.064837738e-02 5.38 2.076331287e-02 5.40 2.063021018e-02 5.42 2.024581637e-02 5.44 1.963161008e-02 5.46 1.881424688e-02 5.48 1.782034379e-02 5.50 1.667655123e-02 5.52 1.540960943e-02 5.54 1.404638713e-02 5.56 1.261390233e-02 5.58 1.113932613e-02 5.60 9.649972023e-03 5.62 8.173273846e-03 5.64 6.736756168e-03 5.66 5.368001119e-03 5.68 4.094615594e-03 5.70 2.944202397e-03 5.72 1.944338175e-03 5.74 1.122559999e-03 5.76 5.063610969e-04 5.78 1.231946236e-04 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