# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2021--Wang-G-Xu-Y-Qian-P-Su-Y--Au-Rh # implementation = 2021--Wang-G--Au-Rh--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 Au Au Au Rh Rh Rh 0.02 1.016136751e+03 5.187260823e+02 9.801312127e+02 0.04 9.926574116e+02 5.148031869e+02 9.556186939e+02 0.06 9.695588616e+02 5.107658527e+02 9.315221541e+02 0.08 9.468379779e+02 5.066169973e+02 9.078380376e+02 0.10 9.239113150e+02 5.022909066e+02 8.845627916e+02 0.12 9.013145125e+02 4.978478675e+02 8.616928689e+02 0.14 8.790517479e+02 4.932922019e+02 8.392247334e+02 0.16 8.571230825e+02 4.886277314e+02 8.171548407e+02 0.18 8.355283801e+02 4.838582297e+02 7.954796601e+02 0.20 8.142673820e+02 4.789874202e+02 7.741956423e+02 0.22 7.933396504e+02 4.740189795e+02 7.532992637e+02 0.24 7.727446220e+02 4.689565394e+02 7.327869800e+02 0.26 7.524815769e+02 4.638036933e+02 7.126552643e+02 0.28 7.325496677e+02 4.585639865e+02 6.929005747e+02 0.30 7.129479215e+02 4.532409284e+02 6.735193766e+02 0.32 6.936752437e+02 4.478379887e+02 6.545081301e+02 0.34 6.747304121e+02 4.423586079e+02 6.358632945e+02 0.36 6.561121103e+02 4.368061812e+02 6.175813259e+02 0.38 6.378188964e+02 4.311840798e+02 5.996586795e+02 0.40 6.198492377e+02 4.254956401e+02 5.820918073e+02 0.42 6.022014998e+02 4.197441692e+02 5.648771576e+02 0.44 5.848739574e+02 4.139329452e+02 5.480111754e+02 0.46 5.678647980e+02 4.080652198e+02 5.314903042e+02 0.48 5.511721173e+02 4.021442168e+02 5.153109818e+02 0.50 5.347939360e+02 3.961731373e+02 4.994696445e+02 0.52 5.187281991e+02 3.901551584e+02 4.839627249e+02 0.54 5.029727745e+02 3.840934356e+02 4.687866476e+02 0.56 4.875254623e+02 3.779911021e+02 4.539378422e+02 0.58 4.723839960e+02 3.718512713e+02 4.394127265e+02 0.60 4.575460455e+02 3.655726300e+02 4.251598637e+02 0.62 4.430092232e+02 3.589486068e+02 4.110634566e+02 0.64 4.287710824e+02 3.522629084e+02 3.972414954e+02 0.66 4.148291230e+02 3.455227947e+02 3.836951930e+02 0.68 4.011807931e+02 3.387352032e+02 3.704253833e+02 0.70 3.878234939e+02 3.319067749e+02 3.574325421e+02 0.72 3.747545779e+02 3.250438655e+02 3.447168142e+02 0.74 3.619713577e+02 3.181525675e+02 3.322780300e+02 0.76 3.494711003e+02 3.112387213e+02 3.201157275e+02 0.78 3.372510370e+02 3.043079312e+02 3.082291738e+02 0.80 3.253083607e+02 2.973655807e+02 2.966173736e+02 0.82 3.136402291e+02 2.904168469e+02 2.852790977e+02 0.84 3.022437669e+02 2.834667113e+02 2.742128920e+02 0.86 2.911160682e+02 2.765199723e+02 2.634170959e+02 0.88 2.802541994e+02 2.695812597e+02 2.528898519e+02 0.90 2.696551946e+02 2.626550409e+02 2.426291302e+02 0.92 2.593160655e+02 2.557456362e+02 2.326327278e+02 0.94 2.492337987e+02 2.488572251e+02 2.228982937e+02 0.96 2.394053566e+02 2.419938581e+02 2.134233284e+02 0.98 2.298276808e+02 2.351594634e+02 2.042052062e+02 1.00 2.204976896e+02 2.283578576e+02 1.952411792e+02 1.02 2.114122901e+02 2.215927639e+02 1.865283844e+02 1.04 2.025683588e+02 2.148687659e+02 1.780638619e+02 1.06 1.939627689e+02 2.081919564e+02 1.698445569e+02 1.08 1.855923640e+02 2.015681860e+02 1.618673225e+02 1.10 1.774539884e+02 1.950027193e+02 1.541289433e+02 1.12 1.695444595e+02 1.885001242e+02 1.466261282e+02 1.14 1.618605845e+02 1.820642342e+02 1.393555218e+02 1.16 1.543991657e+02 1.756981412e+02 1.323137096e+02 1.18 1.471569832e+02 1.694042121e+02 1.254972279e+02 1.20 1.401308187e+02 1.631842208e+02 1.189025630e+02 1.22 1.333174308e+02 1.570395404e+02 1.125261657e+02 1.24 1.267135829e+02 1.509714110e+02 1.063644337e+02 1.26 1.203160171e+02 1.449812871e+02 1.004137481e+02 1.28 1.141215326e+02 1.390712363e+02 9.467051538e+01 1.30 1.081291460e+02 1.332439171e+02 8.913599100e+01 1.32 1.023400783e+02 1.275021926e+02 8.381889746e+01 1.34 9.675583933e+01 1.218491133e+02 7.872587245e+01 1.36 9.137805140e+01 1.162879116e+02 7.385938182e+01 1.38 8.620659473e+01 1.108219520e+02 6.921730754e+01 1.40 8.124068209e+01 1.054546382e+02 6.479297272e+01 1.42 7.647837414e+01 1.001893181e+02 6.057603716e+01 1.44 7.191421996e+01 9.502919639e+01 5.655433174e+01 1.46 6.753735003e+01 8.997720025e+01 5.271651525e+01 1.48 6.334394213e+01 8.503636468e+01 4.905510066e+01 1.50 5.933799809e+01 8.021300950e+01 4.556577900e+01 1.52 5.551393156e+01 7.551464609e+01 4.224564945e+01 1.54 5.186656747e+01 7.094830860e+01 3.909305652e+01 1.56 4.839148622e+01 6.651894691e+01 3.610707501e+01 1.58 4.508403320e+01 6.223002118e+01 3.328669258e+01 1.60 4.193897147e+01 5.807988634e+01 3.063003203e+01 1.62 3.895034741e+01 5.406501096e+01 2.813335308e+01 1.64 3.611378644e+01 5.019371268e+01 2.579075804e+01 1.66 3.342581517e+01 4.646675724e+01 2.359483638e+01 1.68 3.088121613e+01 4.288431773e+01 2.153762516e+01 1.70 2.847519727e+01 3.944659450e+01 1.961158709e+01 1.72 2.620321509e+01 3.615287607e+01 1.781047748e+01 1.74 2.406074867e+01 3.300196792e+01 1.612974467e+01 1.76 2.204309977e+01 2.999464567e+01 1.456489146e+01 1.78 2.014474445e+01 2.713074034e+01 1.311019207e+01 1.80 1.835849142e+01 2.441032845e+01 1.175867885e+01 1.82 1.667888335e+01 2.183421841e+01 1.050254000e+01 1.84 1.510608575e+01 1.940373463e+01 9.333776184e+00 1.86 1.363602543e+01 1.712020325e+01 8.244956362e+00 1.88 1.226254341e+01 1.498396776e+01 7.229918236e+00 1.90 1.098155572e+01 1.299754718e+01 6.284278458e+00 1.92 9.789235117e+00 1.116674135e+01 5.405626276e+00 1.94 8.681857119e+00 9.493307399e+00 4.592952523e+00 1.96 7.655792678e+00 7.979438948e+00 3.845738275e+00 1.98 6.707477101e+00 6.627812181e+00 3.163341898e+00 2.00 5.833353946e+00 5.440910105e+00 2.544532390e+00 2.02 5.029731576e+00 4.417813793e+00 1.987234077e+00 2.04 4.292577774e+00 3.540676160e+00 1.488510512e+00 2.06 3.617802474e+00 2.788529493e+00 1.044730090e+00 2.08 3.002774041e+00 2.143254473e+00 6.518241989e-01 2.10 2.445924722e+00 1.589198507e+00 3.055524388e-01 2.12 1.943991946e+00 1.112886586e+00 1.718786865e-03 2.14 1.493040091e+00 7.029371877e-01 -2.636849671e-01 2.16 1.089934485e+00 3.500823392e-01 -4.944059402e-01 2.18 7.317458364e-01 4.676042755e-02 -6.939120247e-01 2.20 4.155786437e-01 -2.136140582e-01 -8.654111014e-01 2.22 1.385662445e-01 -4.368769539e-01 -1.011890300e+00 2.24 -1.021326734e-01 -6.279981060e-01 -1.136162282e+00 2.26 -3.093381148e-01 -7.910719469e-01 -1.240909127e+00 2.28 -4.858507461e-01 -9.294908078e-01 -1.328719494e+00 2.30 -6.344541116e-01 -1.046125637e+00 -1.402045707e+00 2.32 -7.579156387e-01 -1.143679395e+00 -1.462713984e+00 2.34 -8.589873325e-01 -1.224597264e+00 -1.512151694e+00 2.36 -9.404062007e-01 -1.290979485e+00 -1.551640216e+00 2.38 -1.004894502e+00 -1.344628381e+00 -1.582330469e+00 2.40 -1.055158129e+00 -1.387089743e+00 -1.605255506e+00 2.42 -1.093570368e+00 -1.419738775e+00 -1.621341656e+00 2.44 -1.121787464e+00 -1.443854905e+00 -1.631418650e+00 2.46 -1.141229789e+00 -1.460556656e+00 -1.636228667e+00 2.48 -1.153195968e+00 -1.470813432e+00 -1.636434561e+00 2.50 -1.158916493e+00 -1.475465984e+00 -1.632627237e+00 2.52 -1.159590347e+00 -1.475244251e+00 -1.625332403e+00 2.54 -1.156358042e+00 -1.470783041e+00 -1.615016744e+00 2.56 -1.150138479e+00 -1.462635666e+00 -1.602093621e+00 2.58 -1.141358559e+00 -1.451285992e+00 -1.586928303e+00 2.60 -1.129832781e+00 -1.437158858e+00 -1.569842806e+00 2.62 -1.115139289e+00 -1.420629524e+00 -1.551120524e+00 2.64 -1.097332618e+00 -1.402032105e+00 -1.531010339e+00 2.66 -1.077167373e+00 -1.381667725e+00 -1.509730722e+00 2.68 -1.055589153e+00 -1.359812606e+00 -1.487473292e+00 2.70 -1.033142034e+00 -1.336726582e+00 -1.464406354e+00 2.72 -1.010053142e+00 -1.312662357e+00 -1.440677940e+00 2.74 -9.865026668e-01 -1.287873643e+00 -1.416418758e+00 2.76 -9.626463007e-01 -1.262619002e+00 -1.391744780e+00 2.78 -9.386170622e-01 -1.237152486e+00 -1.366759454e+00 2.80 -9.145283629e-01 -1.211691711e+00 -1.341555707e+00 2.82 -8.904765977e-01 -1.186363937e+00 -1.316217621e+00 2.84 -8.665432426e-01 -1.161157128e+00 -1.290821752e+00 2.86 -8.427968637e-01 -1.135930771e+00 -1.265438106e+00 2.88 -8.192946990e-01 -1.110522059e+00 -1.240130904e+00 2.90 -7.960841919e-01 -1.084891995e+00 -1.214958955e+00 2.92 -7.732042094e-01 -1.059179922e+00 -1.189975864e+00 2.94 -7.506861535e-01 -1.033622558e+00 -1.165229773e+00 2.96 -7.285549957e-01 -1.008413905e+00 -1.140763140e+00 2.98 -7.068300399e-01 -9.836250147e-01 -1.116612104e+00 3.00 -6.855257407e-01 -9.592710834e-01 -1.092805725e+00 3.02 -6.646522709e-01 -9.353599822e-01 -1.069365396e+00 3.04 -6.442161422e-01 -9.118968823e-01 -1.046307814e+00 3.06 -6.242207275e-01 -8.888844586e-01 -1.023648470e+00 3.08 -6.046666075e-01 -8.663231800e-01 -1.001401830e+00 3.10 -5.855519912e-01 -8.442117812e-01 -9.795811509e-01 3.12 -5.668731479e-01 -8.225475547e-01 -9.581982790e-01 3.14 -5.486244837e-01 -8.013265776e-01 -9.372634863e-01 3.16 -5.307990626e-01 -7.805440649e-01 -9.167851937e-01 3.18 -5.133886507e-01 -7.601944037e-01 -8.967697044e-01 3.20 -4.963840204e-01 -7.402715120e-01 -8.772210012e-01 3.22 -4.797752590e-01 -7.207688313e-01 -8.581406211e-01 3.24 -4.635518102e-01 -7.016795880e-01 -8.395272672e-01 3.26 -4.477026046e-01 -6.829967342e-01 -8.213765698e-01 3.28 -4.322183762e-01 -6.647132542e-01 -8.036812657e-01 3.30 -4.170812492e-01 -6.468219600e-01 -7.864304111e-01 3.32 -4.022891734e-01 -6.293158544e-01 -7.696096227e-01 3.34 -3.878544605e-01 -6.121878570e-01 -7.532010747e-01 3.36 -3.737859470e-01 -5.954310647e-01 -7.371860225e-01 3.38 -3.600995352e-01 -5.790387688e-01 -7.215455830e-01 3.40 -3.468111095e-01 -5.630041436e-01 -7.062616303e-01 3.42 -3.339274094e-01 -5.473208627e-01 -6.913166079e-01 3.44 -3.214525536e-01 -5.319824793e-01 -6.766935808e-01 3.46 -3.093881871e-01 -5.169825708e-01 -6.623762873e-01 3.48 -2.977334932e-01 -5.023153781e-01 -6.483492160e-01 3.50 -2.864856235e-01 -4.879746512e-01 -6.345975465e-01 3.52 -2.756400130e-01 -4.739543591e-01 -6.211072820e-01 3.54 -2.651906779e-01 -4.602490983e-01 -6.078651888e-01 3.56 -2.551304202e-01 -4.468529902e-01 -5.948588054e-01 3.58 -2.454510885e-01 -4.337599643e-01 -5.820765431e-01 3.60 -2.361437270e-01 -4.209649505e-01 -5.695074797e-01 3.62 -2.271987805e-01 -4.084626427e-01 -5.571416766e-01 3.64 -2.186062034e-01 -3.962468068e-01 -5.449697850e-01 3.66 -2.103556194e-01 -3.843123590e-01 -5.329833233e-01 3.68 -2.024364034e-01 -3.726549858e-01 -5.211746221e-01 3.70 -1.948377825e-01 -3.612669484e-01 -5.095365485e-01 3.72 -1.875489332e-01 -3.501440720e-01 -4.980629075e-01 3.74 -1.805590229e-01 -3.392877199e-01 -4.867480759e-01 3.76 -1.738572941e-01 -3.287000028e-01 -4.755869195e-01 3.78 -1.674330940e-01 -3.183815794e-01 -4.645752935e-01 3.80 -1.612759287e-01 -3.083353780e-01 -4.537094095e-01 3.82 -1.553754933e-01 -2.985632357e-01 -4.429858047e-01 3.84 -1.497216976e-01 -2.890653488e-01 -4.324020698e-01 3.86 -1.443046925e-01 -2.798422812e-01 -4.219560411e-01 3.88 -1.391148849e-01 -2.708926030e-01 -4.116456084e-01 3.90 -1.341429533e-01 -2.622138301e-01 -4.014695867e-01 3.92 -1.293798586e-01 -2.538026042e-01 -3.914273199e-01 3.94 -1.248168460e-01 -2.456549365e-01 -3.815178946e-01 3.96 -1.204454563e-01 -2.377690636e-01 -3.717405962e-01 3.98 -1.162575226e-01 -2.301418659e-01 -3.620960159e-01 4.00 -1.122451727e-01 -2.227685421e-01 -3.525844054e-01 4.02 -1.084008266e-01 -2.156437467e-01 -3.432057209e-01 4.04 -1.047171920e-01 -2.087616865e-01 -3.339601310e-01 4.06 -1.011872636e-01 -2.021162230e-01 -3.248492512e-01 4.08 -9.780431332e-02 -1.957012264e-01 -3.158739923e-01 4.10 -9.456188732e-02 -1.895153344e-01 -3.070348459e-01 4.12 -9.145380027e-02 -1.835539188e-01 -2.983320853e-01 4.14 -8.847412165e-02 -1.778102449e-01 -2.897675933e-01 4.16 -8.561717826e-02 -1.722774397e-01 -2.813430229e-01 4.18 -8.287753336e-02 -1.669485402e-01 -2.730592243e-01 4.20 -8.024999446e-02 -1.618165509e-01 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