# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Xu-Y-Wang-G-Qian-P-Su-Y--Ni-Pd # implementation = 2022--Xu-Y--Ni-Pd--LAMMPS--ipr1 # composition = Ni # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 8.234629310e+02 nan 0.86 nan nan nan nan nan nan nan nan 7.499579669e+02 nan 0.88 nan nan nan nan nan nan nan nan 6.829127829e+02 nan 0.90 nan nan nan nan nan 5.143799172e+02 nan nan 6.217026266e+02 nan 0.92 nan nan nan nan nan 4.679443162e+02 nan nan 5.657802042e+02 nan 0.94 nan nan nan nan nan 4.263162567e+02 nan nan 5.147408520e+02 nan 0.96 nan nan nan nan nan 3.890581264e+02 nan nan 4.682252078e+02 nan 0.98 nan nan nan nan nan 3.557351583e+02 nan nan 4.258821455e+02 nan 1.00 nan nan nan nan nan 3.259120477e+02 nan nan 3.873712485e+02 nan 1.02 nan nan nan 8.696813415e+02 8.697098996e+02 2.991559088e+02 nan nan 3.523599900e+02 5.455235498e+02 1.04 nan 5.009676496e+02 nan 8.062506316e+02 8.064889553e+02 2.750400707e+02 5.117014366e+02 nan 3.205235257e+02 5.001227974e+02 1.06 nan 4.606152768e+02 nan 7.478636406e+02 7.482108559e+02 2.531812872e+02 4.689260553e+02 nan 2.915720337e+02 4.584144801e+02 1.08 nan 4.231085984e+02 nan 6.940312304e+02 6.943912503e+02 2.333552995e+02 4.294308361e+02 nan 2.652586578e+02 4.201273265e+02 1.10 nan 3.881434233e+02 nan 6.442976908e+02 6.446026530e+02 2.153818647e+02 3.930101756e+02 nan 2.413569936e+02 3.849933873e+02 1.12 nan 3.554983036e+02 nan 5.982177993e+02 5.984303287e+02 1.990788769e+02 3.594676161e+02 nan 2.196476607e+02 3.527454146e+02 1.14 nan 3.250121162e+02 nan 5.553533924e+02 5.554682342e+02 1.842645479e+02 3.286126537e+02 nan 1.999361255e+02 3.231191743e+02 1.16 5.152468442e+02 2.965588780e+02 4.541454109e+02 5.152747458e+02 5.153176724e+02 1.707590518e+02 3.002554571e+02 4.722901520e+02 1.820506272e+02 2.958593175e+02 1.18 4.776938047e+02 2.700290927e+02 4.195456014e+02 4.776849360e+02 4.776927316e+02 1.583848991e+02 2.742079029e+02 4.367266317e+02 1.658219633e+02 2.707665121e+02 1.20 4.424522156e+02 2.453313019e+02 3.872164908e+02 4.424408597e+02 4.424393258e+02 1.469671948e+02 2.502846410e+02 4.034226414e+02 1.510824178e+02 2.477027090e+02 1.22 4.094073139e+02 2.223793668e+02 3.569343999e+02 4.094105394e+02 4.094130402e+02 1.363348274e+02 2.283039694e+02 3.722589120e+02 1.376659771e+02 2.265388406e+02 1.24 3.784475831e+02 2.010920972e+02 3.284987002e+02 3.784661431e+02 3.784745744e+02 1.263399861e+02 2.081027535e+02 3.431188085e+02 1.254151862e+02 2.071513073e+02 1.26 3.494633135e+02 1.813925864e+02 3.018085069e+02 3.494905813e+02 3.495031324e+02 1.169309158e+02 1.895531487e+02 3.158883374e+02 1.142187666e+02 1.894165999e+02 1.28 3.223473612e+02 1.632058843e+02 2.767946018e+02 3.223741611e+02 3.223882842e+02 1.080844778e+02 1.725360694e+02 2.904560766e+02 1.039843016e+02 1.732089030e+02 1.30 2.969930128e+02 1.464572835e+02 2.533883418e+02 2.970123769e+02 2.970254659e+02 9.977668225e+01 1.569333625e+02 2.667117447e+02 9.461982067e+01 1.584021670e+02 1.32 2.732957541e+02 1.310734226e+02 2.315212844e+02 2.733048452e+02 2.733149194e+02 9.198135779e+01 1.426254714e+02 2.445479693e+02 8.603396297e+01 1.448716904e+02 1.34 2.511532759e+02 1.169825370e+02 2.111252882e+02 2.511526052e+02 2.511586324e+02 8.467123991e+01 1.294932361e+02 2.238602568e+02 7.813654836e+01 1.324951515e+02 1.36 2.304648553e+02 1.041160508e+02 1.921318718e+02 2.304573488e+02 2.304595623e+02 7.781970738e+01 1.174193150e+02 2.045548602e+02 7.085675966e+01 1.211524439e+02 1.38 2.111324657e+02 9.240816725e+01 1.744737996e+02 2.111219885e+02 2.111215395e+02 7.140186278e+01 1.062944730e+02 1.865480193e+02 6.415796195e+01 1.107241089e+02 1.40 1.930607848e+02 8.179390882e+01 1.580874368e+02 1.930510750e+02 1.930493973e+02 6.509856446e+01 9.605321488e+01 1.697591616e+02 5.800833644e+01 1.010905034e+02 1.42 1.761579375e+02 7.220906870e+01 1.429131061e+02 1.761518581e+02 1.761502720e+02 5.876739545e+01 8.664627654e+01 1.541111047e+02 5.189552163e+01 9.213390975e+01 1.44 1.603569754e+02 6.359007019e+01 1.288941334e+02 1.603559882e+02 1.603555842e+02 5.287823202e+01 7.802405275e+01 1.395437395e+02 4.605426624e+01 8.378215465e+01 1.46 1.456145087e+02 5.587320585e+01 1.159750143e+02 1.456189354e+02 1.456206869e+02 4.741044708e+01 7.013689416e+01 1.260130092e+02 4.074055248e+01 7.600815472e+01 1.48 1.318884072e+02 4.899495179e+01 1.041016749e+02 1.318983923e+02 1.319032119e+02 4.234445592e+01 6.293593382e+01 1.134760220e+02 3.591674209e+01 6.878843669e+01 1.50 1.191371624e+02 4.264000925e+01 9.322103749e+01 1.191526216e+02 1.191608844e+02 3.766101585e+01 5.637429769e+01 1.018906468e+02 3.154610417e+01 6.210075972e+01 1.52 1.073205012e+02 3.652751720e+01 8.328111533e+01 1.073402956e+02 1.073514440e+02 3.334170486e+01 5.040712486e+01 9.121534627e+01 2.759325419e+01 5.592292646e+01 1.54 9.639918892e+01 3.115903199e+01 7.423026837e+01 9.642076446e+01 9.643349845e+01 2.936878356e+01 4.442068150e+01 8.140870138e+01 2.402397023e+01 4.995011419e+01 1.56 8.633434271e+01 2.646380611e+01 6.601610011e+01 8.635430889e+01 8.636701962e+01 2.572445938e+01 3.885179642e+01 7.242934523e+01 2.080513928e+01 4.402459176e+01 1.58 7.708701506e+01 2.237194661e+01 5.858620963e+01 7.710214596e+01 7.711337215e+01 2.239081055e+01 3.381686649e+01 6.423594447e+01 1.790462861e+01 3.860637399e+01 1.60 6.861854991e+01 1.881419640e+01 5.188925263e+01 6.862645828e+01 6.863514974e+01 1.935026926e+01 2.926596687e+01 5.678738178e+01 1.529108873e+01 3.366530255e+01 1.62 6.089031202e+01 1.572185611e+01 4.587479368e+01 6.089002913e+01 6.089559126e+01 1.658579364e+01 2.515600286e+01 5.004323774e+01 1.293360276e+01 2.917222872e+01 1.64 5.386374874e+01 1.302775675e+01 3.999717391e+01 5.385594268e+01 5.385824575e+01 1.408112132e+01 2.145758353e+01 4.395072300e+01 1.080405170e+01 2.509969668e+01 1.66 4.750016998e+01 1.068239126e+01 3.455195192e+01 4.748709177e+01 4.748640399e+01 1.182075328e+01 1.814315028e+01 3.777868214e+01 8.885423736e+00 2.142217196e+01 1.68 4.146540015e+01 8.650136108e+00 2.971289494e+01 4.144758468e+01 4.144624489e+01 9.789731892e+00 1.518566469e+01 3.227421021e+01 7.164122499e+00 1.811582155e+01 1.70 3.563964593e+01 6.896421281e+00 2.541971598e+01 3.562067905e+01 3.561575595e+01 7.973344287e+00 1.255886925e+01 2.739158669e+01 5.626937091e+00 1.515785792e+01 1.72 3.044125292e+01 5.387197325e+00 2.161218479e+01 3.042465979e+01 3.041689826e+01 6.357127395e+00 1.023734901e+01 2.308603408e+01 4.260996710e+00 1.252563356e+01 1.74 2.582849689e+01 4.088634153e+00 1.823229080e+01 2.581641172e+01 2.580667730e+01 4.927799031e+00 8.196508827e+00 1.931355715e+01 3.053977685e+00 1.019664188e+01 1.76 2.176050790e+01 2.966892159e+00 1.523843449e+01 2.175351729e+01 2.174276869e+01 3.673921702e+00 6.412919676e+00 1.603077717e+01 1.993821537e+00 8.148799872e+00 1.78 1.819636211e+01 1.988495957e+00 1.260027310e+01 1.819411902e+01 1.818342332e+01 2.584553520e+00 4.864083678e+00 1.319464873e+01 1.068972600e+00 6.360189769e+00 1.80 1.509503939e+01 1.123057955e+00 1.028930064e+01 1.509690147e+01 1.508740057e+01 1.648030649e+00 3.528145298e+00 1.076252222e+01 2.690475986e-01 4.809084095e+00 1.82 1.241614113e+01 3.561585314e-01 8.278461706e+00 1.242126355e+01 1.241403179e+01 8.512485098e-01 2.383669989e+00 8.692351692e+00 -4.155402107e-01 3.474224321e+00 1.84 1.011978207e+01 -3.199963216e-01 6.541560659e+00 1.012713736e+01 1.012303326e+01 1.799592992e-01 1.409388770e+00 6.942485599e+00 -9.942625554e-01 2.334806565e+00 1.86 8.166335774e+00 -9.130316472e-01 5.052453284e+00 8.174889937e+00 8.174447590e+00 -3.803903868e-01 5.838912521e-01 5.471661311e+00 -1.476988581e+00 1.370396913e+00 1.88 6.516537566e+00 -1.430586737e+00 3.784598973e+00 6.525260588e+00 6.528557164e+00 -8.438129110e-01 -1.143439076e-01 4.238927238e+00 -1.874308024e+00 5.609350377e-01 1.90 5.131518257e+00 -1.880479391e+00 2.711203693e+00 5.139397726e+00 5.146009170e+00 -1.223154254e+00 -7.054907837e-01 3.203481541e+00 -2.197405011e+00 -1.133245770e-01 1.92 3.972652704e+00 -2.270661273e+00 1.805537881e+00 3.978896403e+00 3.988012325e+00 -1.530744095e+00 -1.204969787e+00 2.324881614e+00 -2.457595993e+00 -6.719722903e-01 1.94 3.001443387e+00 -2.608653383e+00 1.040927390e+00 3.005739685e+00 3.016357128e+00 -1.778795644e+00 -1.626586875e+00 1.563249266e+00 -2.665918158e+00 -1.134368047e+00 1.96 2.179756849e+00 -2.901147897e+00 3.907265396e-01 2.182346571e+00 2.193454165e+00 -1.979449324e+00 -1.983670613e+00 8.876932144e-01 -2.832811458e+00 -1.519300185e+00 1.98 1.470050523e+00 -3.154111123e+00 -1.716075499e-01 1.471576825e+00 1.482295271e+00 -2.144755542e+00 -2.289159926e+00 2.826242266e-01 -2.968025376e+00 -1.845029728e+00 2.00 8.355536054e-01 -3.373024721e+00 -6.722203035e-01 8.367968218e-01 8.464723009e-01 -2.286510413e+00 -2.555761199e+00 -2.656083856e-01 -3.081035296e+00 -2.129419682e+00 2.02 2.519840481e-01 -3.561727813e+00 -1.128921546e+00 2.536794963e-01 2.619185966e-01 -2.412521167e+00 -2.792188560e+00 -7.664906968e-01 -3.178338474e+00 -2.384344040e+00 2.04 -2.848447815e-01 -3.721810482e+00 -1.546021948e+00 -2.821107547e-01 -2.754776467e-01 -2.524217293e+00 -3.000697706e+00 -1.222902146e+00 -3.261578203e+00 -2.612110816e+00 2.06 -7.769940345e-01 -3.855122642e+00 -1.926307884e+00 -7.729906998e-01 -7.680305693e-01 -2.622423432e+00 -3.183155869e+00 -1.637089766e+00 -3.331795557e+00 -2.814317282e+00 2.08 -1.226297682e+00 -3.964121909e+00 -2.272239235e+00 -1.221296147e+00 -1.218085043e+00 -2.707987156e+00 -3.341706687e+00 -2.011391875e+00 -3.389828996e+00 -2.992715018e+00 2.10 -1.634534158e+00 -4.051734074e+00 -2.585889157e+00 -1.629262024e+00 -1.627894759e+00 -2.781772576e+00 -3.478591953e+00 -2.348305747e+00 -3.436336626e+00 -3.149187217e+00 2.12 -2.003674991e+00 -4.121034445e+00 -2.868807778e+00 -1.999131944e+00 -1.999689753e+00 -2.844671082e+00 -3.595984411e+00 -2.650470384e+00 -3.471848760e+00 -3.285737170e+00 2.14 -2.336142260e+00 -4.174920623e+00 -3.122196157e+00 -2.333299222e+00 -2.335787122e+00 -2.897629190e+00 -3.695907980e+00 -2.920498643e+00 -3.496888809e+00 -3.404446973e+00 2.16 -2.634633723e+00 -4.215780125e+00 -3.346992232e+00 -2.634204120e+00 -2.638516408e+00 -2.941548283e+00 -3.780094288e+00 -3.160825810e+00 -3.512121507e+00 -3.507105853e+00 2.18 -2.901727399e+00 -4.245564659e+00 -3.543986528e+00 -2.904057358e+00 -2.909973185e+00 -2.977184973e+00 -3.849834322e+00 -3.373672809e+00 -3.518372022e+00 -3.594990308e+00 2.20 -3.139824753e+00 -4.265933438e+00 -3.714078513e+00 -3.144856782e+00 -3.152045643e+00 -3.005140843e+00 -3.906271452e+00 -3.561075469e+00 -3.516620927e+00 -3.669164404e+00 2.22 -3.351162137e+00 -4.278225507e+00 -3.858520247e+00 -3.358500316e+00 -3.366543744e+00 -3.025865183e+00 -3.950567001e+00 -3.724904990e+00 -3.507961544e+00 -3.730578324e+00 2.24 -3.537821162e+00 -4.283458455e+00 -3.979080672e+00 -3.546824523e+00 -3.555249207e+00 -3.039675295e+00 -3.983910693e+00 -3.866914556e+00 -3.493488144e+00 -3.780100474e+00 2.26 -3.701738830e+00 -4.282369724e+00 -4.078077221e+00 -3.711592830e+00 -3.719903147e+00 -3.046919841e+00 -4.007471006e+00 -3.988804165e+00 -3.474199838e+00 -3.818565283e+00 2.28 -3.844717069e+00 -4.275440176e+00 -4.158219379e+00 -3.854527799e+00 -3.862240771e+00 -3.048097918e+00 -4.022302996e+00 -4.092237171e+00 -3.450930091e+00 -3.846781463e+00 2.30 -3.968431252e+00 -4.262799491e+00 -4.222264784e+00 -3.977340401e+00 -3.984029905e+00 -3.043741033e+00 -4.029309310e+00 -4.178831482e+00 -3.424264533e+00 -3.865477998e+00 2.32 -4.074438701e+00 -4.244231410e+00 -4.272763865e+00 -4.081726244e+00 -4.087056877e+00 -3.034382470e+00 -4.029214551e+00 -4.250173505e+00 -3.394524848e+00 -3.875304112e+00 2.34 -4.164186316e+00 -4.219671079e+00 -4.311837981e+00 -4.169349236e+00 -4.173095312e+00 -3.020548202e+00 -4.022562510e+00 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