# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Etesami-S-A-Asadi-E--Ni # implementation = 2018--Etesami-S-A--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 2022-05-24 r Ni Ni 0.02 4.634808743e+05 0.04 1.951102070e+05 0.06 1.116958175e+05 0.08 7.296849548e+04 0.10 5.138860542e+04 0.12 3.800546432e+04 0.14 2.909683691e+04 0.16 2.286106775e+04 0.18 1.832956329e+04 0.20 1.493960693e+04 0.22 1.234416902e+04 0.24 1.031887417e+04 0.26 8.713020544e+03 0.28 7.422176550e+03 0.30 6.372077543e+03 0.32 5.508746723e+03 0.34 4.792219010e+03 0.36 4.192425999e+03 0.38 3.686427106e+03 0.40 3.256502553e+03 0.42 2.888813360e+03 0.44 2.572443438e+03 0.46 2.298703641e+03 0.48 2.060619666e+03 0.50 1.852550104e+03 0.52 1.669898792e+03 0.54 1.508895704e+03 0.56 1.366428741e+03 0.58 1.239913359e+03 0.60 1.127190829e+03 0.62 1.026448241e+03 0.64 9.361551577e+02 0.66 8.550131929e+02 0.68 7.819155721e+02 0.70 7.159145773e+02 0.72 6.561951466e+02 0.74 6.020533975e+02 0.76 5.528790366e+02 0.78 5.081409082e+02 0.80 4.673750520e+02 0.82 4.301747995e+02 0.84 3.961825227e+02 0.86 3.650827302e+02 0.88 3.365962710e+02 0.90 3.104754441e+02 0.92 2.864998630e+02 0.94 2.644729388e+02 0.96 2.442188849e+02 0.98 2.255801520e+02 1.00 2.084152284e+02 1.02 1.925963839e+02 1.04 1.776579580e+02 1.06 1.628992680e+02 1.08 1.485853185e+02 1.10 1.349221842e+02 1.12 1.220397197e+02 1.14 1.100108573e+02 1.16 9.886661107e+01 1.18 8.860767344e+01 1.20 7.921333999e+01 1.22 7.064832320e+01 1.24 6.286791647e+01 1.26 5.582186513e+01 1.28 4.945723177e+01 1.30 4.372048147e+01 1.32 3.855896563e+01 1.34 3.392194502e+01 1.36 2.976126308e+01 1.38 2.603175562e+01 1.40 2.269146516e+01 1.42 1.970171186e+01 1.44 1.702706226e+01 1.46 1.463522644e+01 1.48 1.249690777e+01 1.50 1.058562298e+01 1.52 8.877505742e+00 1.54 7.351104018e+00 1.56 5.987177639e+00 1.58 4.768501668e+00 1.60 3.679678295e+00 1.62 2.706959929e+00 1.64 1.838084218e+00 1.66 1.062121906e+00 1.68 3.693373174e-01 1.70 -2.489386634e-01 1.72 -8.004236954e-01 1.74 -1.291987870e+00 1.76 -1.729747039e+00 1.78 -2.119146533e+00 1.80 -2.465035901e+00 1.82 -2.771735646e+00 1.84 -3.043096551e+00 1.86 -3.282552459e+00 1.88 -3.493167078e+00 1.90 -3.677675503e+00 1.92 -3.838520991e+00 1.94 -3.977887531e+00 1.96 -4.097728683e+00 1.98 -4.199793104e+00 2.00 -4.285647170e+00 2.02 -4.356696678e+00 2.04 -4.414224505e+00 2.06 -4.459423365e+00 2.08 -4.493403574e+00 2.10 -4.517197839e+00 2.12 -4.531765796e+00 2.14 -4.537998284e+00 2.16 -4.536721399e+00 2.18 -4.528700314e+00 2.20 -4.514642910e+00 2.22 -4.495203207e+00 2.24 -4.470984615e+00 2.26 -4.442543018e+00 2.28 -4.410389707e+00 2.30 -4.374994155e+00 2.32 -4.336786663e+00 2.34 -4.296160864e+00 2.36 -4.253476118e+00 2.38 -4.209059774e+00 2.40 -4.163209336e+00 2.42 -4.116194508e+00 2.44 -4.068259149e+00 2.46 -4.019623124e+00 2.48 -3.970484065e+00 2.50 -3.921019035e+00 2.52 -3.871386107e+00 2.54 -3.821725862e+00 2.56 -3.772162794e+00 2.58 -3.722806642e+00 2.60 -3.673753641e+00 2.62 -3.625087693e+00 2.64 -3.576881471e+00 2.66 -3.529197442e+00 2.68 -3.482088829e+00 2.70 -3.435600501e+00 2.72 -3.389769799e+00 2.74 -3.344627300e+00 2.76 -3.300197526e+00 2.78 -3.256499588e+00 2.80 -3.213547788e+00 2.82 -3.171352160e+00 2.84 -3.129918970e+00 2.86 -3.089251168e+00 2.88 -3.049348801e+00 2.90 -3.010209384e+00 2.92 -2.971828237e+00 2.94 -2.934198788e+00 2.96 -2.897312847e+00 2.98 -2.861160844e+00 3.00 -2.825732052e+00 3.02 -2.791014780e+00 3.04 -2.756996544e+00 3.06 -2.723664216e+00 3.08 -2.691004168e+00 3.10 -2.659002381e+00 3.12 -2.627644554e+00 3.14 -2.596916192e+00 3.16 -2.566802690e+00 3.18 -2.537289397e+00 3.20 -2.508361677e+00 3.22 -2.480004961e+00 3.24 -2.452204788e+00 3.26 -2.424946848e+00 3.28 -2.398217006e+00 3.30 -2.372001335e+00 3.32 -2.346286132e+00 3.34 -2.321057940e+00 3.36 -2.296303562e+00 3.38 -2.272010070e+00 3.40 -2.248164816e+00 3.42 -2.224755437e+00 3.44 -2.201769862e+00 3.46 -2.179196313e+00 3.48 -2.157023304e+00 3.50 -2.135239647e+00 3.52 -2.113834445e+00 3.54 -2.092797094e+00 3.56 -2.072117279e+00 3.58 -2.051784969e+00 3.60 -2.031790418e+00 3.62 -2.012124155e+00 3.64 -1.992776981e+00 3.66 -1.973739968e+00 3.68 -1.955004447e+00 3.70 -1.936562010e+00 3.72 -1.918404496e+00 3.74 -1.900523993e+00 3.76 -1.882873521e+00 3.78 -1.864638998e+00 3.80 -1.843212425e+00 3.82 -1.814087724e+00 3.84 -1.770880594e+00 3.86 -1.705294523e+00 3.88 -1.607052187e+00 3.90 -1.463945261e+00 3.92 -1.262506142e+00 3.94 -9.906700439e-01 3.96 -6.460623298e-01 3.98 -2.608948324e-01 4.00 -2.946529085e-28 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