# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--W # implementation = 1987--Ackland-G-J--W--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 2025-12-17 r W W 0.02 2.244344312e+03 0.04 2.151476122e+03 0.06 2.062210810e+03 0.08 1.976414448e+03 0.10 1.893957933e+03 0.12 1.814716813e+03 0.14 1.738571128e+03 0.16 1.665405254e+03 0.18 1.595107747e+03 0.20 1.527571203e+03 0.22 1.462692109e+03 0.24 1.400370711e+03 0.26 1.340510881e+03 0.28 1.283019988e+03 0.30 1.227808776e+03 0.32 1.174791245e+03 0.34 1.123884532e+03 0.36 1.075008807e+03 0.38 1.028087159e+03 0.40 9.830454959e+02 0.42 9.398124430e+02 0.44 8.983192465e+02 0.46 8.584996803e+02 0.48 8.202899556e+02 0.50 7.836286337e+02 0.52 7.484565422e+02 0.54 7.147166934e+02 0.56 6.823542065e+02 0.58 6.513162312e+02 0.60 6.215518752e+02 0.62 5.930121334e+02 0.64 5.656498198e+02 0.66 5.394195021e+02 0.68 5.142774378e+02 0.70 4.901815135e+02 0.72 4.670911853e+02 0.74 4.449674224e+02 0.76 4.237726514e+02 0.78 4.034707040e+02 0.80 3.840267650e+02 0.82 3.654073235e+02 0.84 3.475801251e+02 0.86 3.305141255e+02 0.88 3.141794468e+02 0.90 2.985473341e+02 0.92 2.835901148e+02 0.94 2.692811582e+02 0.96 2.555948376e+02 0.98 2.425064930e+02 1.00 2.299923957e+02 1.02 2.180297134e+02 1.04 2.065964775e+02 1.06 1.956715508e+02 1.08 1.852345967e+02 1.10 1.752660495e+02 1.12 1.657470859e+02 1.14 1.566595970e+02 1.16 1.479861621e+02 1.18 1.397100224e+02 1.20 1.318150572e+02 1.22 1.242857593e+02 1.24 1.171072121e+02 1.26 1.102650680e+02 1.28 1.037455264e+02 1.30 9.753531380e+01 1.32 9.162166357e+01 1.34 8.599229706e+01 1.36 8.063540526e+01 1.38 7.553963109e+01 1.40 7.069405241e+01 1.42 6.608816562e+01 1.44 6.171186989e+01 1.46 5.755545194e+01 1.48 5.360957145e+01 1.50 4.986524699e+01 1.52 4.631384244e+01 1.54 4.294705394e+01 1.56 3.975689742e+01 1.58 3.673569640e+01 1.60 3.387607050e+01 1.62 3.117092416e+01 1.64 2.861343595e+01 1.66 2.619704818e+01 1.68 2.391545699e+01 1.70 2.176260275e+01 1.72 1.973266088e+01 1.74 1.782003297e+01 1.76 1.601933831e+01 1.78 1.432540569e+01 1.80 1.273326554e+01 1.82 1.123814237e+01 1.84 9.835447505e+00 1.86 8.520772118e+00 1.88 7.289880515e+00 1.90 6.138703689e+00 1.92 5.063333136e+00 1.94 4.060014903e+00 1.96 3.125143884e+00 1.98 2.255258331e+00 2.00 1.447034590e+00 2.02 6.972820469e-01 2.04 2.938271100e-03 2.06 -6.389356406e-01 2.08 -1.231159536e+00 2.10 -1.776438498e+00 2.12 -2.277366959e+00 2.14 -2.736432654e+00 2.16 -3.156020406e+00 2.18 -3.538415759e+00 2.20 -3.885808462e+00 2.22 -4.200295812e+00 2.24 -4.483885855e+00 2.26 -4.738500453e+00 2.28 -4.965978231e+00 2.30 -5.168077393e+00 2.32 -5.346478423e+00 2.34 -5.502786671e+00 2.36 -5.638534835e+00 2.38 -5.755185330e+00 2.40 -5.854132561e+00 2.42 -5.936705100e+00 2.44 -6.004167762e+00 2.46 -6.057723603e+00 2.48 -6.098515821e+00 2.50 -6.127629583e+00 2.52 -6.146093762e+00 2.54 -6.154882612e+00 2.56 -6.154917353e+00 2.58 -6.147067702e+00 2.60 -6.132153319e+00 2.62 -6.110945209e+00 2.64 -6.084167036e+00 2.66 -6.052496406e+00 2.68 -6.016566061e+00 2.70 -5.976965052e+00 2.72 -5.934239826e+00 2.74 -5.888895286e+00 2.76 -5.841373577e+00 2.78 -5.791977007e+00 2.80 -5.740951448e+00 2.82 -5.688518761e+00 2.84 -5.634876786e+00 2.86 -5.580199342e+00 2.88 -5.524636237e+00 2.90 -5.468313264e+00 2.92 -5.411332201e+00 2.94 -5.353770804e+00 2.96 -5.295682814e+00 2.98 -5.237097957e+00 3.00 -5.178021946e+00 3.02 -5.118436475e+00 3.04 -5.058299223e+00 3.06 -4.997543854e+00 3.08 -4.936080012e+00 3.10 -4.873793327e+00 3.12 -4.810545412e+00 3.14 -4.746173865e+00 3.16 -4.680492268e+00 3.18 -4.613290185e+00 3.20 -4.544333165e+00 3.22 -4.473362742e+00 3.24 -4.400096432e+00 3.26 -4.324580015e+00 3.28 -4.248725095e+00 3.30 -4.172870182e+00 3.32 -4.097015276e+00 3.34 -4.021160371e+00 3.36 -3.945305457e+00 3.38 -3.869450523e+00 3.40 -3.793595574e+00 3.42 -3.717740668e+00 3.44 -3.641885798e+00 3.46 -3.566030897e+00 3.48 -3.490175915e+00 3.50 -3.414320988e+00 3.52 -3.338466180e+00 3.54 -3.262611248e+00 3.56 -3.186756193e+00 3.58 -3.110901472e+00 3.60 -3.035046565e+00 3.62 -2.959191423e+00 3.64 -2.883336894e+00 3.66 -2.807481698e+00 3.68 -2.731626914e+00 3.70 -2.655772308e+00 3.72 -2.579916769e+00 3.74 -2.504062915e+00 3.76 -2.428206580e+00 3.78 -2.352353599e+00 3.80 -2.276496231e+00 3.82 -2.200644600e+00 3.84 -2.124785547e+00 3.86 -2.048935906e+00 3.88 -1.973075059e+00 3.90 -1.897222244e+00 3.92 -1.821367787e+00 3.94 -1.745491266e+00 3.96 -1.669670344e+00 3.98 -1.593743916e+00 4.00 -1.517840445e+00 4.02 -1.441902566e+00 4.04 -1.363795875e+00 4.06 -1.286484015e+00 4.08 -1.213283586e+00 4.10 -1.147831439e+00 4.12 -1.085645013e+00 4.14 -1.015631388e+00 4.16 -9.312135700e-01 4.18 -8.296353248e-01 4.20 -7.116389496e-01 4.22 -5.876556350e-01 4.24 -4.672965754e-01 4.26 -3.568214454e-01 4.28 -2.599177647e-01 4.30 -1.783886950e-01 4.32 -1.127492666e-01 4.34 -6.273103602e-02 4.36 -2.769517389e-02 4.38 -6.953983749e-03 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