# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--V # implementation = 2001--Lee-B-J--V--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 V V 0.02 1.510171673e+02 0.04 1.431919595e+02 0.06 1.357122021e+02 0.08 1.285658731e+02 0.10 1.217408531e+02 0.12 1.152250565e+02 0.14 1.090065299e+02 0.16 1.030735260e+02 0.18 9.741455764e+01 0.20 9.201843563e+01 0.22 8.687429550e+01 0.24 8.197161421e+01 0.26 7.730021991e+01 0.28 7.285029603e+01 0.30 6.861238123e+01 0.32 6.457736621e+01 0.34 6.073648807e+01 0.36 5.708132306e+01 0.38 5.360377810e+01 0.40 5.029608142e+01 0.42 4.715077276e+01 0.44 4.416069316e+01 0.46 4.131897467e+01 0.48 3.861903011e+01 0.50 3.605454279e+01 0.52 3.361945653e+01 0.54 3.130796578e+01 0.56 2.911450607e+01 0.58 2.703374468e+01 0.60 2.506057161e+01 0.62 2.319009087e+01 0.64 2.141761202e+01 0.66 1.973864204e+01 0.68 1.814887751e+01 0.70 1.664419699e+01 0.72 1.522065381e+01 0.74 1.387446902e+01 0.76 1.260202469e+01 0.78 1.139985737e+01 0.80 1.026465193e+01 0.82 9.193235522e+00 0.84 8.182571815e+00 0.86 7.229755476e+00 0.88 6.332006838e+00 0.90 5.486666779e+00 0.92 4.691191808e+00 0.94 3.943149334e+00 0.96 3.240213128e+00 0.98 2.580158955e+00 1.00 1.960860382e+00 1.02 1.380284749e+00 1.04 8.364892967e-01 1.06 3.276174507e-01 1.08 -1.481047517e-01 1.10 -5.923720909e-01 1.12 -1.006803459e+00 1.14 -1.392945025e+00 1.16 -1.752273266e+00 1.18 -2.086197892e+00 1.20 -2.396064637e+00 1.22 -2.683157949e+00 1.24 -2.948703569e+00 1.26 -3.193871000e+00 1.28 -3.419775886e+00 1.30 -3.627482287e+00 1.32 -3.818004858e+00 1.34 -3.992310948e+00 1.36 -4.151322603e+00 1.38 -4.295918490e+00 1.40 -4.426935742e+00 1.42 -4.545171717e+00 1.44 -4.651385693e+00 1.46 -4.746300485e+00 1.48 -4.830603989e+00 1.50 -4.904950662e+00 1.52 -4.969962939e+00 1.54 -5.026232581e+00 1.56 -5.074321964e+00 1.58 -5.114765309e+00 1.60 -5.148069851e+00 1.62 -5.174716958e+00 1.64 -5.195163188e+00 1.66 -5.209841297e+00 1.68 -5.219161191e+00 1.70 -5.223510834e+00 1.72 -5.223257100e+00 1.74 -5.218746579e+00 1.76 -5.210306334e+00 1.78 -5.198244616e+00 1.80 -5.182851529e+00 1.82 -5.164399653e+00 1.84 -5.143144626e+00 1.86 -5.119325684e+00 1.88 -5.093166158e+00 1.90 -5.064873939e+00 1.92 -5.034641907e+00 1.94 -5.002648325e+00 1.96 -4.969057210e+00 1.98 -4.934018672e+00 2.00 -4.897669243e+00 2.02 -4.860132188e+00 2.04 -4.821517812e+00 2.06 -4.781923770e+00 2.08 -4.741435391e+00 2.10 -4.700126026e+00 2.12 -4.658057430e+00 2.14 -4.615280199e+00 2.16 -4.571834264e+00 2.18 -4.527749469e+00 2.20 -4.483046237e+00 2.22 -4.437736345e+00 2.24 -4.391823809e+00 2.26 -4.345305894e+00 2.28 -4.298174244e+00 2.30 -4.250416142e+00 2.32 -4.202015867e+00 2.34 -4.152956150e+00 2.36 -4.103219689e+00 2.38 -4.052790696e+00 2.40 -4.001656420e+00 2.42 -3.949808614e+00 2.44 -3.897244876e+00 2.46 -3.843969823e+00 2.48 -3.789996034e+00 2.50 -3.735344738e+00 2.52 -3.680046185e+00 2.54 -3.624139710e+00 2.56 -3.567673460e+00 2.58 -3.510703809e+00 2.60 -3.453294491e+00 2.62 -3.395515480e+00 2.64 -3.337441697e+00 2.66 -3.279151577e+00 2.68 -3.220725599e+00 2.70 -3.162244811e+00 2.72 -3.103789448e+00 2.74 -3.045437664e+00 2.76 -2.987264448e+00 2.78 -2.929340738e+00 2.80 -2.871732753e+00 2.82 -2.814501540e+00 2.84 -2.757702738e+00 2.86 -2.701386521e+00 2.88 -2.645597709e+00 2.90 -2.590375994e+00 2.92 -2.535756267e+00 2.94 -2.481769004e+00 2.96 -2.428440671e+00 2.98 -2.375794139e+00 3.00 -2.323849079e+00 3.02 -2.272622327e+00 3.04 -2.222128209e+00 3.06 -2.172378821e+00 3.08 -2.123384274e+00 3.10 -2.075152896e+00 3.12 -2.027691406e+00 3.14 -1.981005051e+00 3.16 -1.935097735e+00 3.18 -1.889972123e+00 3.20 -1.845629732e+00 3.22 -1.802071014e+00 3.24 -1.759295435e+00 3.26 -1.717301541e+00 3.28 -1.676087028e+00 3.30 -1.635648799e+00 3.32 -1.595983026e+00 3.34 -1.557085201e+00 3.36 -1.518950191e+00 3.38 -1.481572287e+00 3.40 -1.444945245e+00 3.42 -1.409062338e+00 3.44 -1.373916392e+00 3.46 -1.339499826e+00 3.48 -1.305804691e+00 3.50 -1.272822701e+00 3.52 -1.237507588e+00 3.54 -1.161677788e+00 3.56 -9.494315629e-01 3.58 -4.960266258e-01 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 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