# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Al # implementation = 2025--Sharifi-H--Al--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 2025-07-01 r Al Al 0.02 1.028140289e+05 0.04 4.400192354e+04 0.06 2.553665024e+04 0.08 1.685684394e+04 0.10 1.196920789e+04 0.12 8.910587048e+03 0.14 6.858160167e+03 0.16 5.410802380e+03 0.18 4.351605415e+03 0.20 3.553960781e+03 0.22 2.939466088e+03 0.24 2.457234689e+03 0.26 2.072950668e+03 0.28 1.762727048e+03 0.30 1.509490653e+03 0.32 1.300762017e+03 0.34 1.127243071e+03 0.36 9.818915000e+02 0.38 8.592966724e+02 0.40 7.552492328e+02 0.42 6.664381665e+02 0.44 5.902332895e+02 0.46 5.245267649e+02 0.48 4.676158915e+02 0.50 4.181151742e+02 0.52 3.748897255e+02 0.54 3.370042203e+02 0.56 3.036833835e+02 0.58 2.742811966e+02 0.60 2.482566582e+02 0.62 2.251545792e+02 0.64 2.045902836e+02 0.66 1.862373133e+02 0.68 1.698175110e+02 0.70 1.550929773e+02 0.72 1.418595005e+02 0.74 1.299411797e+02 0.76 1.191859969e+02 0.78 1.094621533e+02 0.80 1.006550318e+02 0.82 9.266466413e+01 0.84 8.540361118e+01 0.86 7.879518652e+01 0.88 7.277195764e+01 0.90 6.727448037e+01 0.92 6.225022684e+01 0.94 5.765267227e+01 0.96 5.344048899e+01 0.98 4.956436999e+01 1.00 4.596041709e+01 1.02 4.261633517e+01 1.04 3.952021508e+01 1.06 3.665791631e+01 1.08 3.401414415e+01 1.10 3.157322160e+01 1.12 2.931962957e+01 1.14 2.723837337e+01 1.16 2.531521915e+01 1.18 2.353683447e+01 1.20 2.189085907e+01 1.22 2.036592532e+01 1.24 1.895164386e+01 1.26 1.763856548e+01 1.28 1.641812772e+01 1.30 1.528259287e+01 1.32 1.422498140e+01 1.34 1.323900452e+01 1.36 1.231899820e+01 1.38 1.145985982e+01 1.40 1.065698888e+01 1.42 9.906232158e+00 1.44 9.203833482e+00 1.46 8.546388034e+00 1.48 7.930801617e+00 1.50 7.354254837e+00 1.52 6.814171068e+00 1.54 6.308188170e+00 1.56 5.834133729e+00 1.58 5.390003498e+00 1.60 4.973942613e+00 1.62 4.584229366e+00 1.64 4.219261192e+00 1.66 3.877542563e+00 1.68 3.557674605e+00 1.70 3.258346158e+00 1.72 2.978326078e+00 1.74 2.716456633e+00 1.76 2.471647785e+00 1.78 2.242872253e+00 1.80 2.029161228e+00 1.82 1.829600616e+00 1.84 1.643327737e+00 1.86 1.469528406e+00 1.88 1.307434306e+00 1.90 1.156320630e+00 1.92 1.015503926e+00 1.94 8.843401035e-01 1.96 7.622226007e-01 1.98 6.485806461e-01 2.00 5.428776241e-01 2.02 4.446095233e-01 2.04 3.533039128e-01 2.06 2.685218271e-01 2.08 1.898535494e-01 2.10 1.169150015e-01 2.12 4.934630950e-02 2.14 -1.319002562e-02 2.16 -7.101185140e-02 2.18 -1.244218035e-01 2.20 -1.737147306e-01 2.22 -2.191897577e-01 2.24 -2.611688387e-01 2.26 -3.000240883e-01 2.28 -3.362155781e-01 2.30 -3.703348244e-01 2.32 -4.031510392e-01 2.34 -4.356546636e-01 2.36 -4.690888690e-01 2.38 -5.049574059e-01 2.40 -5.449960100e-01 2.42 -5.910951556e-01 2.44 -6.451651469e-01 2.46 -7.089415580e-01 2.48 -7.837410685e-01 2.50 -8.701949729e-01 2.52 -9.680076265e-01 2.54 -1.075802970e+00 2.56 -1.191123260e+00 2.58 -1.310619978e+00 2.60 -1.430426631e+00 2.62 -1.546642136e+00 2.64 -1.655810356e+00 2.66 -1.755281107e+00 2.68 -1.843382926e+00 2.70 -1.919404313e+00 2.72 -1.983434617e+00 2.74 -2.036138115e+00 2.76 -2.078526167e+00 2.78 -2.111767710e+00 2.80 -2.137053077e+00 2.82 -2.155508765e+00 2.84 -2.168152433e+00 2.86 -2.175875743e+00 2.88 -2.179447740e+00 2.90 -2.179543453e+00 2.92 -2.176740408e+00 2.94 -2.171522390e+00 2.96 -2.164293733e+00 2.98 -2.155392202e+00 3.00 -2.145100131e+00 3.02 -2.133653856e+00 3.04 -2.121251587e+00 3.06 -2.108059915e+00 3.08 -2.094219172e+00 3.10 -2.079847840e+00 3.12 -2.065046162e+00 3.14 -2.049899111e+00 3.16 -2.034478842e+00 3.18 -2.018846701e+00 3.20 -2.003054900e+00 3.22 -1.987147899e+00 3.24 -1.971163563e+00 3.26 -1.955134121e+00 3.28 -1.939086977e+00 3.30 -1.923045393e+00 3.32 -1.907029056e+00 3.34 -1.891054576e+00 3.36 -1.875135889e+00 3.38 -1.859284621e+00 3.40 -1.843510387e+00 3.42 -1.827821056e+00 3.44 -1.812222976e+00 3.46 -1.796721169e+00 3.48 -1.781319509e+00 3.50 -1.766020865e+00 3.52 -1.750827241e+00 3.54 -1.735739887e+00 3.56 -1.720759406e+00 3.58 -1.705885848e+00 3.60 -1.691118786e+00 3.62 -1.676457397e+00 3.64 -1.661900524e+00 3.66 -1.647446737e+00 3.68 -1.633094382e+00 3.70 -1.618841634e+00 3.72 -1.604686536e+00 3.74 -1.590627036e+00 3.76 -1.576661023e+00 3.78 -1.562786356e+00 3.80 -1.549000886e+00 3.82 -1.535302485e+00 3.84 -1.521689059e+00 3.86 -1.508158570e+00 3.88 -1.494709044e+00 3.90 -1.481338589e+00 3.92 -1.468045399e+00 3.94 -1.454827763e+00 3.96 -1.441684071e+00 3.98 -1.428612817e+00 4.00 -1.415612602e+00 4.02 -1.402682136e+00 4.04 -1.389820234e+00 4.06 -1.377025822e+00 4.08 -1.364297928e+00 4.10 -1.351635686e+00 4.12 -1.339038329e+00 4.14 -1.326505190e+00 4.16 -1.314035691e+00 4.18 -1.301629348e+00 4.20 -1.289285762e+00 4.22 -1.277004614e+00 4.24 -1.264785664e+00 4.26 -1.252628744e+00 4.28 -1.240533757e+00 4.30 -1.228500667e+00 4.32 -1.216529502e+00 4.34 -1.204620342e+00 4.36 -1.192773322e+00 4.38 -1.180988623e+00 4.40 -1.169266472e+00 4.42 -1.157607134e+00 4.44 -1.146010911e+00 4.46 -1.134478139e+00 4.48 -1.123009181e+00 4.50 -1.111604429e+00 4.52 -1.100264295e+00 4.54 -1.088989213e+00 4.56 -1.077779633e+00 4.58 -1.066636020e+00 4.60 -1.055558849e+00 4.62 -1.044548604e+00 4.64 -1.033605777e+00 4.66 -1.022730864e+00 4.68 -1.011924360e+00 4.70 -1.001186765e+00 4.72 -9.905185731e-01 4.74 -9.799202763e-01 4.76 -9.693923609e-01 4.78 -9.589353064e-01 4.80 -9.485495836e-01 4.82 -9.382356536e-01 4.84 -9.279939663e-01 4.86 -9.178249593e-01 4.88 -9.077290568e-01 4.90 -8.977066687e-01 4.92 -8.857185429e-01 4.94 -8.456738527e-01 4.96 -7.089165736e-01 4.98 -3.875614780e-01 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