# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1 # composition = Fe # 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 2025-12-17 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 9.226785544e+02 nan 0.84 nan nan nan nan nan nan nan nan 8.270360124e+02 nan 0.86 nan nan nan nan nan nan nan nan 7.426022792e+02 nan 0.88 nan nan nan nan nan 6.009089057e+02 nan nan 6.679183642e+02 nan 0.90 nan nan nan nan nan 5.426191873e+02 nan nan 6.017474999e+02 nan 0.92 nan nan nan nan nan 4.903167076e+02 nan nan 5.430060568e+02 nan 0.94 nan nan nan nan nan 4.433715360e+02 nan nan 4.907201460e+02 nan 0.96 nan nan nan nan nan 4.012354774e+02 nan nan 4.440153024e+02 nan 0.98 nan nan nan nan nan 3.634319993e+02 nan nan 4.021810887e+02 nan 1.00 nan nan nan 9.113931696e+02 9.115941601e+02 3.294734643e+02 nan nan 3.646534099e+02 5.564137896e+02 1.02 nan 4.814434272e+02 nan 8.312629565e+02 8.313163558e+02 2.988859588e+02 5.057289237e+02 nan 3.309319106e+02 5.065755482e+02 1.04 nan 4.370421465e+02 nan 7.588798420e+02 7.587921314e+02 2.712668256e+02 4.604826427e+02 nan 3.005733792e+02 4.616751835e+02 1.06 nan 3.971098161e+02 nan 6.934726177e+02 6.932821171e+02 2.462638142e+02 4.197725369e+02 nan 2.731818256e+02 4.211585119e+02 1.08 nan 3.611420824e+02 nan 6.343255434e+02 6.340946646e+02 2.235717634e+02 3.830735647e+02 nan 2.484012936e+02 3.845483277e+02 1.10 nan 3.287102653e+02 nan 5.807985279e+02 5.805820963e+02 2.029528670e+02 3.499222696e+02 nan 2.259241866e+02 3.514485231e+02 1.12 nan 2.994187475e+02 nan 5.322820330e+02 5.321087353e+02 1.842351399e+02 3.199117364e+02 nan 2.054923567e+02 3.215073525e+02 1.14 4.882130111e+02 2.729086490e+02 4.233160617e+02 4.881731078e+02 4.880658047e+02 1.672618979e+02 2.926738204e+02 4.431177623e+02 1.868619970e+02 2.943289446e+02 1.16 4.479963588e+02 2.489090725e+02 3.876873966e+02 4.479869855e+02 4.479573479e+02 1.519028353e+02 2.678943936e+02 4.061526432e+02 1.698502458e+02 2.695947688e+02 1.18 4.112936458e+02 2.272136317e+02 3.553365613e+02 4.113234432e+02 4.113694738e+02 1.380473110e+02 2.453023560e+02 3.724441967e+02 1.543168369e+02 2.470218356e+02 1.20 3.777744457e+02 2.076438246e+02 3.259582023e+02 3.778384105e+02 3.779445936e+02 1.255736543e+02 2.246528587e+02 3.416900989e+02 1.401408312e+02 2.263598909e+02 1.22 3.471194114e+02 1.900246747e+02 2.992759318e+02 3.472132772e+02 3.473627751e+02 1.143526394e+02 2.057387702e+02 3.136138119e+02 1.272293707e+02 2.073751269e+02 1.24 3.190692871e+02 1.741650803e+02 2.750289052e+02 3.191859931e+02 3.193560922e+02 1.042576119e+02 1.884000343e+02 2.880012728e+02 1.154960203e+02 1.898768921e+02 1.26 2.934463508e+02 1.598439889e+02 2.529731941e+02 2.935617343e+02 2.937225242e+02 9.516878290e+01 1.724955912e+02 2.646658191e+02 1.048492647e+02 1.737258914e+02 1.28 2.700532145e+02 1.468504165e+02 2.328783756e+02 2.701489900e+02 2.702761932e+02 8.696025693e+01 1.579082356e+02 2.434059736e+02 9.519197328e+01 1.588132514e+02 1.30 2.486951138e+02 1.350043934e+02 2.145288775e+02 2.487626166e+02 2.488380571e+02 7.950533195e+01 1.445274027e+02 2.240359977e+02 8.642303987e+01 1.450598416e+02 1.32 2.292071690e+02 1.241461863e+02 1.977370313e+02 2.292343971e+02 2.292442200e+02 7.271098054e+01 1.322519457e+02 2.063939287e+02 7.845012028e+01 1.324111673e+02 1.34 2.114262286e+02 1.141353407e+02 1.823623127e+02 2.114051214e+02 2.113475676e+02 6.651743489e+01 1.209907330e+02 1.903231811e+02 7.120584303e+01 1.208114863e+02 1.36 1.951920430e+02 1.048581685e+02 1.682813674e+02 1.951222215e+02 1.950087161e+02 6.087443134e+01 1.106575192e+02 1.756624194e+02 6.463134753e+01 1.102044130e+02 1.38 1.803565565e+02 9.623333537e+01 1.553821746e+02 1.802458453e+02 1.800966269e+02 5.573842233e+01 1.011728356e+02 1.622579369e+02 5.866923450e+01 1.005271574e+02 1.40 1.667896591e+02 8.819886971e+01 1.435630893e+02 1.666513344e+02 1.664892294e+02 5.107543298e+01 9.246162101e+01 1.499661814e+02 5.325744834e+01 9.172281850e+01 1.42 1.543551535e+02 8.070627370e+01 1.327240107e+02 1.542083866e+02 1.540567551e+02 4.685117077e+01 8.445611561e+01 1.386553768e+02 4.833677384e+01 8.372835978e+01 1.44 1.429160736e+02 7.372131053e+01 1.227713442e+02 1.427846882e+02 1.426654383e+02 4.303287969e+01 7.709647528e+01 1.282090602e+02 4.385900831e+01 7.647446094e+01 1.46 1.323414958e+02 6.721989840e+01 1.136162941e+02 1.322529454e+02 1.321857389e+02 3.958682705e+01 7.032340922e+01 1.185392199e+02 3.978213609e+01 6.989202525e+01 1.48 1.225468728e+02 6.117600723e+01 1.051602499e+02 1.225204724e+02 1.225156358e+02 3.646885577e+01 6.409112419e+01 1.095862457e+02 3.607058995e+01 6.391964139e+01 1.50 1.134733707e+02 5.556639520e+01 9.730107992e+01 1.135137237e+02 1.135698694e+02 3.362858346e+01 5.836520939e+01 1.012940021e+02 3.269155354e+01 5.849334998e+01 1.52 1.050581652e+02 5.036317435e+01 8.995084449e+01 1.051613365e+02 1.052717450e+02 3.101679251e+01 5.311382021e+01 9.360927303e+01 2.961445952e+01 5.354904281e+01 1.54 9.724779699e+01 4.553801114e+01 8.303503281e+01 9.740276460e+01 9.755726409e+01 2.858654773e+01 4.830294874e+01 8.648361341e+01 2.680693997e+01 4.903276195e+01 1.56 9.000124184e+01 4.106423384e+01 7.650645757e+01 9.018965343e+01 9.037346080e+01 2.630516090e+01 4.390062364e+01 7.987280895e+01 2.423836163e+01 4.489695409e+01 1.58 8.327579591e+01 3.691485603e+01 7.033834927e+01 8.347624970e+01 8.367147244e+01 2.415463492e+01 3.987791694e+01 7.373301978e+01 2.188148071e+01 4.109775039e+01 1.60 7.702721144e+01 3.306513403e+01 6.450717911e+01 7.721820354e+01 7.740528809e+01 2.212021306e+01 3.620559055e+01 6.802253677e+01 1.971278023e+01 3.760129559e+01 1.62 7.121549391e+01 2.949127496e+01 5.900311740e+01 7.137758831e+01 7.153776537e+01 2.019526369e+01 3.285073434e+01 6.269681701e+01 1.771212363e+01 3.438071605e+01 1.64 6.579981322e+01 2.617076992e+01 5.382539214e+01 6.591809632e+01 6.603587602e+01 1.837798271e+01 2.977958669e+01 5.771216212e+01 1.586177319e+01 3.141118243e+01 1.66 6.073921977e+01 2.308823376e+01 4.897209959e+01 6.080411817e+01 6.086897730e+01 1.666616318e+01 2.695826687e+01 5.303166223e+01 1.414567543e+01 2.866961666e+01 1.68 5.599596758e+01 2.022988443e+01 4.443759737e+01 5.600339020e+01 5.601081283e+01 1.505740758e+01 2.435407570e+01 4.862046578e+01 1.255002815e+01 2.613280246e+01 1.70 5.153126642e+01 1.758124025e+01 4.021654158e+01 5.148388026e+01 5.143649410e+01 1.355218287e+01 2.193788331e+01 4.444677209e+01 1.106400935e+01 2.377480653e+01 1.72 4.730781351e+01 1.513268626e+01 3.630390205e+01 4.721534215e+01 4.712287078e+01 1.215121621e+01 1.968694753e+01 4.048653514e+01 9.681163813e+00 2.156697216e+01 1.74 4.329393233e+01 1.287832926e+01 3.269170133e+01 4.317177829e+01 4.304962426e+01 1.085292259e+01 1.758464822e+01 3.672282778e+01 8.395590270e+00 1.948455195e+01 1.76 3.946673997e+01 1.081863960e+01 2.936257040e+01 3.933098687e+01 3.919523377e+01 9.651369086e+00 1.561898344e+01 3.314745622e+01 7.203138741e+00 1.751027615e+01 1.78 3.581281265e+01 8.953775396e+00 2.629474345e+01 3.567765598e+01 3.554249930e+01 8.538950737e+00 1.378097132e+01 2.975986264e+01 6.100876086e+00 1.563115817e+01 1.80 3.233266858e+01 7.278922255e+00 2.346607874e+01 3.220926690e+01 3.208586523e+01 7.508170248e+00 1.206462307e+01 2.656313631e+01 5.085246659e+00 1.384456987e+01 1.82 2.903232435e+01 5.785364721e+00 2.085380116e+01 2.892853099e+01 2.882473763e+01 6.550982253e+00 1.046420620e+01 2.356314302e+01 4.152872316e+00 1.215477230e+01 1.84 2.591912340e+01 4.462338252e+00 1.843618010e+01 2.583939937e+01 2.575967533e+01 5.659458492e+00 8.973972202e+00 2.076597851e+01 3.300509571e+00 1.056681785e+01 1.86 2.299928268e+01 3.296442033e+00 1.619636713e+01 2.294511011e+01 2.289093754e+01 4.825811361e+00 7.590251167e+00 1.817414488e+01 2.524492963e+00 9.084351433e+00 1.88 2.027608247e+01 2.271023050e+00 1.412036012e+01 2.024690673e+01 2.021773099e+01 4.043741937e+00 6.312449990e+00 1.578606304e+01 1.819731721e+00 7.707953430e+00 1.90 1.775234982e+01 1.369723000e+00 1.219993289e+01 1.774637633e+01 1.774040284e+01 3.312081147e+00 5.140159186e+00 1.360047598e+01 1.181534305e+00 6.437793684e+00 1.92 1.542995272e+01 5.801310102e-01 1.042813301e+01 1.544444376e+01 1.545893481e+01 2.630760538e+00 4.070587534e+00 1.161132907e+01 6.057549536e-01 5.273658362e+00 1.94 1.330436136e+01 -1.088615223e-01 8.798146026e+00 1.333625861e+01 1.336815586e+01 1.999521686e+00 3.098732066e+00 9.808856870e+00 8.813938941e-02 4.213239572e+00 1.96 1.136844469e+01 -7.072170403e-01 7.304213263e+00 1.141429743e+01 1.146015018e+01 1.417870356e+00 2.218903056e+00 8.182918493e+00 -3.757525231e-01 3.253636856e+00 1.98 9.614173344e+00 -1.224783649e+00 5.940248271e+00 9.670038062e+00 9.725902779e+00 8.850490589e-01 1.424296529e+00 6.722132197e+00 -7.905750134e-01 2.391059106e+00 2.00 8.031574380e+00 -1.671448850e+00 4.699482783e+00 8.093014796e+00 8.154455213e+00 4.000265205e-01 7.064583156e-01 5.413404280e+00 -1.161098186e+00 1.619439665e+00 2.02 6.609406125e+00 -2.056925745e+00 3.575053366e+00 6.671649542e+00 6.733892958e+00 -3.818507472e-02 5.830676456e-02 4.242113506e+00 -1.491653161e+00 9.318874435e-01 2.04 5.335294283e+00 -2.390975742e+00 2.562873035e+00 5.394202763e+00 5.453111243e+00 -4.293519927e-01 -5.253469733e-01 3.192048972e+00 -1.786627361e+00 3.210002068e-01 2.06 4.195725727e+00 -2.682974923e+00 1.656622911e+00 4.247950160e+00 4.300174593e+00 -7.757746285e-01 -1.050378035e+00 2.248109554e+00 -2.050031016e+00 -2.211248192e-01 2.08 3.175553626e+00 -2.938714644e+00 8.476891804e-01 3.218618912e+00 3.261684198e+00 -1.081004897e+00 -1.523056128e+00 1.399750334e+00 -2.284138296e+00 -7.031690115e-01 2.10 2.258727651e+00 -3.162044658e+00 1.261914860e-01 2.291146376e+00 2.323565102e+00 -1.348715771e+00 -1.948846245e+00 6.368480156e-01 -2.491152814e+00 -1.134346161e+00 2.12 1.429826007e+00 -3.356676761e+00 -5.174961597e-01 1.451079239e+00 1.472332472e+00 -1.582327808e+00 -2.331068562e+00 -5.060010180e-02 -2.673101008e+00 -1.523540058e+00 2.14 6.791132119e-01 -3.525598860e+00 -1.089245774e+00 6.896529511e-01 7.001926904e-01 -1.783738123e+00 -2.671074374e+00 -6.706486173e-01 -2.830877936e+00 -1.876979248e+00 2.16 -1.188086836e-03 -3.670854878e+00 -1.594072239e+00 -2.666996174e-05 1.134746915e-03 -1.954546267e+00 -2.969960453e+00 -1.229702753e+00 -2.965058278e+00 -2.199808726e+00 2.18 -6.175647689e-01 -3.793938340e+00 -2.038952164e+00 -6.240968793e-01 -6.306289897e-01 -2.097466642e+00 -3.229051251e+00 -1.732588050e+00 -3.075905283e+00 -2.494595629e+00 2.20 -1.175708790e+00 -3.896326266e+00 -2.429597676e+00 -1.188092621e+00 -1.200476452e+00 -2.215579565e+00 -3.449623007e+00 -2.183543681e+00 -3.163691811e+00 -2.762321254e+00 2.22 -1.681281681e+00 -3.980079287e+00 -2.770062032e+00 -1.697488455e+00 -1.713695230e+00 -2.311566152e+00 -3.632811509e+00 -2.585531964e+00 -3.228635400e+00 -3.003936789e+00 2.24 -2.138407621e+00 -4.048009143e+00 -3.064159387e+00 -2.156395668e+00 -2.174383715e+00 -2.387881900e+00 -3.779931663e+00 -2.940186786e+00 -3.271660366e+00 -3.219879935e+00 2.26 -2.548372320e+00 -4.102018154e+00 -3.315701251e+00 -2.566441829e+00 -2.584511337e+00 -2.446973210e+00 -3.892681919e+00 -3.249145531e+00 -3.294578751e+00 -3.409640842e+00 2.28 -2.912147964e+00 -4.142058434e+00 -3.528498387e+00 -2.928980264e+00 -2.945812563e+00 -2.491279200e+00 -3.973379351e+00 -3.514036149e+00 -3.299442817e+00 -3.572603382e+00 2.30 -3.230698257e+00 -4.168516828e+00 -3.706360341e+00 -3.245356911e+00 -3.260015565e+00 -2.523231158e+00 -4.025821170e+00 -3.736743171e+00 -3.288563319e+00 -3.708146420e+00 2.32 -3.504977222e+00 -4.182380306e+00 -3.853094951e+00 -3.516909212e+00 -3.528841202e+00 -2.545252005e+00 -4.054038457e+00 -3.919721367e+00 -3.264494002e+00 -3.815642988e+00 2.34 -3.735932020e+00 -4.184693234e+00 -3.972507841e+00 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