# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Ni # implementation = 2003--Lee-B-J--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 1.192811354e+03 0.04 1.123164104e+03 0.06 1.057435221e+03 0.08 9.954101045e+02 0.10 9.368856465e+02 0.12 8.816696230e+02 0.14 8.295801248e+02 0.16 7.804450146e+02 0.18 7.341014131e+02 0.20 6.903952111e+02 0.22 6.491806072e+02 0.24 6.103196690e+02 0.26 5.736819180e+02 0.28 5.391439342e+02 0.30 5.065889834e+02 0.32 4.759066620e+02 0.34 4.469925618e+02 0.36 4.197479509e+02 0.38 3.940794720e+02 0.40 3.698988564e+02 0.42 3.471226525e+02 0.44 3.256719694e+02 0.46 3.054722323e+02 0.48 2.864529525e+02 0.50 2.685475082e+02 0.52 2.516929376e+02 0.54 2.358297419e+02 0.56 2.209016998e+02 0.58 2.068556909e+02 0.60 1.936415290e+02 0.62 1.812118035e+02 0.64 1.695217297e+02 0.66 1.585290070e+02 0.68 1.481936844e+02 0.70 1.384780332e+02 0.72 1.293464264e+02 0.74 1.207652244e+02 0.76 1.127026672e+02 0.78 1.051287719e+02 0.80 9.801523577e+01 0.82 9.133534456e+01 0.84 8.506388561e+01 0.86 7.917706567e+01 0.88 7.365243312e+01 0.90 6.846880429e+01 0.92 6.360619379e+01 0.94 5.904574855e+01 0.96 5.476968541e+01 0.98 5.076123207e+01 1.00 4.700457120e+01 1.02 4.348478764e+01 1.04 4.018781832e+01 1.06 3.710040503e+01 1.08 3.421004960e+01 1.10 3.150497168e+01 1.12 2.897406866e+01 1.14 2.660687783e+01 1.16 2.439354062e+01 1.18 2.232476875e+01 1.20 2.039181223e+01 1.22 1.858642913e+01 1.24 1.690085701e+01 1.26 1.532778587e+01 1.28 1.386033262e+01 1.30 1.249201693e+01 1.32 1.121673847e+01 1.34 1.002875528e+01 1.36 8.922663466e+00 1.38 7.893377945e+00 1.40 6.936114258e+00 1.42 6.046371406e+00 1.44 5.219915642e+00 1.46 4.452765146e+00 1.48 3.741175567e+00 1.50 3.081626365e+00 1.52 2.470807912e+00 1.54 1.905609328e+00 1.56 1.383106972e+00 1.58 9.005536106e-01 1.60 4.553681651e-01 1.62 4.512606003e-02 1.64 -3.324499033e-01 1.66 -6.794981410e-01 1.68 -9.980264030e-01 1.70 -1.289919423e+00 1.72 -1.556946126e+00 1.74 -1.800766434e+00 1.76 -2.022937664e+00 1.78 -2.224920573e+00 1.80 -2.408085044e+00 1.82 -2.573715456e+00 1.84 -2.723015743e+00 1.86 -2.857114175e+00 1.88 -2.977067876e+00 1.90 -3.083867089e+00 1.92 -3.178439218e+00 1.94 -3.261652648e+00 1.96 -3.334320363e+00 1.98 -3.397203358e+00 2.00 -3.451013876e+00 2.02 -3.496418443e+00 2.04 -3.534040739e+00 2.06 -3.564464279e+00 2.08 -3.588234936e+00 2.10 -3.605863293e+00 2.12 -3.617826839e+00 2.14 -3.624572014e+00 2.16 -3.626516112e+00 2.18 -3.624049053e+00 2.20 -3.617535035e+00 2.22 -3.607314070e+00 2.24 -3.593703427e+00 2.26 -3.576998975e+00 2.28 -3.557476451e+00 2.30 -3.535392655e+00 2.32 -3.510986574e+00 2.34 -3.484480453e+00 2.36 -3.456080804e+00 2.38 -3.425979376e+00 2.40 -3.394354066e+00 2.42 -3.361369793e+00 2.44 -3.327179329e+00 2.46 -3.291924086e+00 2.48 -3.255734867e+00 2.50 -3.218732572e+00 2.52 -3.181028875e+00 2.54 -3.142726854e+00 2.56 -3.103921590e+00 2.58 -3.064700727e+00 2.60 -3.025145004e+00 2.62 -2.985328742e+00 2.64 -2.945320305e+00 2.66 -2.905182537e+00 2.68 -2.864973151e+00 2.70 -2.824745112e+00 2.72 -2.784546970e+00 2.74 -2.744423194e+00 2.76 -2.704414454e+00 2.78 -2.664557908e+00 2.80 -2.624887451e+00 2.82 -2.585433947e+00 2.84 -2.546225457e+00 2.86 -2.507287430e+00 2.88 -2.468642899e+00 2.90 -2.430312649e+00 2.92 -2.392315380e+00 2.94 -2.354667857e+00 2.96 -2.317385049e+00 2.98 -2.280480256e+00 3.00 -2.243965232e+00 3.02 -2.207850297e+00 3.04 -2.172144438e+00 3.06 -2.136855410e+00 3.08 -2.101989829e+00 3.10 -2.067553249e+00 3.12 -2.033550250e+00 3.14 -1.999984509e+00 3.16 -1.966858869e+00 3.18 -1.934175403e+00 3.20 -1.901935479e+00 3.22 -1.870139813e+00 3.24 -1.838788523e+00 3.26 -1.807881180e+00 3.28 -1.777416854e+00 3.30 -1.747394157e+00 3.32 -1.717811281e+00 3.34 -1.688666043e+00 3.36 -1.659955911e+00 3.38 -1.631678045e+00 3.40 -1.603829321e+00 3.42 -1.576406364e+00 3.44 -1.549405571e+00 3.46 -1.522823139e+00 3.48 -1.496655083e+00 3.50 -1.470897262e+00 3.52 -1.445545393e+00 3.54 -1.420595075e+00 3.56 -1.396041800e+00 3.58 -1.371880972e+00 3.60 -1.348107916e+00 3.62 -1.324717899e+00 3.64 -1.301706133e+00 3.66 -1.279067792e+00 3.68 -1.256798020e+00 3.70 -1.234891938e+00 3.72 -1.213344655e+00 3.74 -1.192151275e+00 3.76 -1.171306900e+00 3.78 -1.150806645e+00 3.80 -1.130645633e+00 3.82 -1.110819007e+00 3.84 -1.091321933e+00 3.86 -1.072149604e+00 3.88 -1.053297242e+00 3.90 -1.034760103e+00 3.92 -1.014306381e+00 3.94 -9.636010333e-01 3.96 -8.078901080e-01 3.98 -4.466122297e-01 4.00 -6.197445043e-27 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