# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Ni # implementation = 2023--Daw-M-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 2026-08-31 r Ni Ni 0.02 1.288976362e+05 0.04 1.172503722e+05 0.06 1.061264664e+05 0.08 9.550102198e+04 0.10 8.535043111e+04 0.12 7.565230089e+04 0.14 6.638538376e+04 0.16 5.752951245e+04 0.18 4.906553910e+04 0.20 4.119213140e+04 0.22 3.454759401e+04 0.24 2.898927697e+04 0.26 2.433964481e+04 0.28 2.045002171e+04 0.30 1.719593118e+04 0.32 1.447318368e+04 0.34 1.219459269e+04 0.36 1.028721892e+04 0.38 8.690058077e+03 0.40 7.352101413e+03 0.42 6.230709088e+03 0.44 5.290246375e+03 0.46 4.500940444e+03 0.48 3.837922291e+03 0.50 3.280424052e+03 0.52 2.811106666e+03 0.54 2.415496883e+03 0.56 2.081515975e+03 0.58 1.799085308e+03 0.60 1.559796376e+03 0.62 1.356634811e+03 0.64 1.183749648e+03 0.66 1.036260466e+03 0.68 9.100962534e+02 0.70 8.018608266e+02 0.72 7.087204645e+02 0.74 6.283101262e+02 0.76 5.586552088e+02 0.78 4.981062955e+02 0.80 4.452847575e+02 0.82 3.990374218e+02 0.84 3.583988093e+02 0.86 3.225596909e+02 0.88 2.908409144e+02 0.90 2.626716264e+02 0.92 2.375711591e+02 0.94 2.151339689e+02 0.96 1.950171174e+02 0.98 1.769298689e+02 1.00 1.606250483e+02 1.02 1.458918630e+02 1.04 1.325499422e+02 1.06 1.204443871e+02 1.08 1.094416604e+02 1.10 9.942617353e+01 1.12 9.029745088e+01 1.14 8.196777433e+01 1.16 7.436022473e+01 1.18 6.740705261e+01 1.20 6.104832172e+01 1.22 5.523077825e+01 1.24 4.990690698e+01 1.26 4.503414210e+01 1.28 4.057420614e+01 1.30 3.649255470e+01 1.32 3.275790912e+01 1.34 2.934186159e+01 1.36 2.621854057e+01 1.38 2.336432610e+01 1.40 2.075760652e+01 1.42 1.837856971e+01 1.44 1.620902293e+01 1.46 1.423223663e+01 1.48 1.243280829e+01 1.50 1.079654308e+01 1.52 9.310348580e+00 1.54 7.962141560e+00 1.56 6.740764820e+00 1.58 5.635912737e+00 1.60 4.638064206e+00 1.62 3.738422002e+00 1.64 2.928857685e+00 1.66 2.201861364e+00 1.68 1.550495712e+00 1.70 9.683537684e-01 1.72 4.495200763e-01 1.74 -1.146516028e-02 1.76 -4.196392225e-01 1.78 -7.796475696e-01 1.80 -1.095772303e+00 1.82 -1.371958592e+00 1.84 -1.611839227e+00 1.86 -1.818757452e+00 1.88 -1.995788201e+00 1.90 -2.145757863e+00 1.92 -2.271262672e+00 1.94 -2.374685826e+00 1.96 -2.458213419e+00 1.98 -2.523849268e+00 2.00 -2.573428700e+00 2.02 -2.608631382e+00 2.04 -2.630993249e+00 2.06 -2.641917584e+00 2.08 -2.642685315e+00 2.10 -2.634464582e+00 2.12 -2.618319605e+00 2.14 -2.595218922e+00 2.16 -2.566043021e+00 2.18 -2.531591416e+00 2.20 -2.492589199e+00 2.22 -2.449693109e+00 2.24 -2.403497146e+00 2.26 -2.354537761e+00 2.28 -2.303298656e+00 2.30 -2.250215214e+00 2.32 -2.195678598e+00 2.34 -2.140039521e+00 2.36 -2.083611734e+00 2.38 -2.026675234e+00 2.40 -1.969479223e+00 2.42 -1.912244831e+00 2.44 -1.855167619e+00 2.46 -1.798419891e+00 2.48 -1.742152805e+00 2.50 -1.686498322e+00 2.52 -1.631570993e+00 2.54 -1.577469596e+00 2.56 -1.524278643e+00 2.58 -1.472069752e+00 2.60 -1.420902914e+00 2.62 -1.370827643e+00 2.64 -1.321884034e+00 2.66 -1.274103729e+00 2.68 -1.227510795e+00 2.70 -1.182122532e+00 2.72 -1.137950205e+00 2.74 -1.094999711e+00 2.76 -1.053272189e+00 2.78 -1.012764575e+00 2.80 -9.734701016e-01 2.82 -9.353787567e-01 2.84 -8.984776977e-01 2.86 -8.627516260e-01 2.88 -8.281831272e-01 2.90 -7.947529776e-01 2.92 -7.624404212e-01 2.94 -7.312234194e-01 2.96 -7.010788758e-01 2.98 -6.719828378e-01 3.00 -6.439106774e-01 3.02 -6.168372537e-01 3.04 -5.907370570e-01 3.06 -5.655843381e-01 3.08 -5.413532224e-01 3.10 -5.180178115e-01 3.12 -4.955522728e-01 3.14 -4.739309183e-01 3.16 -4.531282732e-01 3.18 -4.331191367e-01 3.20 -4.138786335e-01 3.22 -3.953822590e-01 3.24 -3.776059177e-01 3.26 -3.605259551e-01 3.28 -3.441191856e-01 3.30 -3.283629140e-01 3.32 -3.132349542e-01 3.34 -2.987136429e-01 3.36 -2.847778507e-01 3.38 -2.714069896e-01 3.40 -2.585810179e-01 3.42 -2.462804428e-01 3.44 -2.344863211e-01 3.46 -2.231802570e-01 3.48 -2.123443994e-01 3.50 -2.019614372e-01 3.52 -1.920145934e-01 3.54 -1.824876181e-01 3.56 -1.733647804e-01 3.58 -1.646308598e-01 3.60 -1.562711368e-01 3.62 -1.482713828e-01 3.64 -1.406178498e-01 3.66 -1.332972592e-01 3.68 -1.262967913e-01 3.70 -1.196040733e-01 3.72 -1.132071680e-01 3.74 -1.070945625e-01 3.76 -1.012551560e-01 3.78 -9.567824866e-02 3.80 -9.035352959e-02 3.82 -8.527106549e-02 3.84 -8.042128913e-02 3.86 -7.579498803e-02 3.88 -7.138329330e-02 3.90 -6.717766864e-02 3.92 -6.316989948e-02 3.94 -5.935208250e-02 3.96 -5.571661544e-02 3.98 -5.225618605e-02 4.00 -4.896376265e-02 4.02 -4.583258450e-02 4.04 -4.285615243e-02 4.06 -4.002821948e-02 4.08 -3.734278203e-02 4.10 -3.479407100e-02 4.12 -3.237654339e-02 4.14 -3.008486549e-02 4.16 -2.791370555e-02 4.18 -2.585814471e-02 4.20 -2.391356232e-02 4.22 -2.207550193e-02 4.24 -2.033966847e-02 4.26 -1.870192492e-02 4.28 -1.715828874e-02 4.30 -1.570492801e-02 4.32 -1.433815733e-02 4.34 -1.305443365e-02 4.36 -1.185035200e-02 4.38 -1.072264112e-02 4.40 -9.668159111e-03 4.42 -8.683889108e-03 4.44 -7.766934933e-03 4.46 -6.914516850e-03 4.48 -6.123967360e-03 4.50 -5.392727081e-03 4.52 -4.718340718e-03 4.54 -4.098453131e-03 4.56 -3.530805500e-03 4.58 -3.013231605e-03 4.60 -2.543654209e-03 4.62 -2.120081561e-03 4.64 -1.740604003e-03 4.66 -1.403390696e-03 4.68 -1.106686458e-03 4.70 -8.488087142e-04 4.72 -6.281445499e-04 4.74 -4.431478826e-04 4.76 -2.923367314e-04 4.78 -1.742905931e-04 4.80 -8.764791829e-05 4.82 -3.110368517e-05 4.84 -3.407068502e-06 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