# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-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 2025-07-01 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 3.990879207e+02 nan 0.80 nan nan nan nan nan nan nan nan 3.610517349e+02 nan 0.82 nan nan nan nan nan nan nan nan 3.271575056e+02 nan 0.84 nan nan nan nan nan 2.544910464e+02 nan nan 2.966460748e+02 nan 0.86 nan nan nan nan nan 2.310396541e+02 nan nan 2.690521468e+02 nan 0.88 nan nan nan nan nan 2.100260959e+02 nan nan 2.444128930e+02 nan 0.90 nan nan nan nan nan 1.911475564e+02 nan nan 2.220789046e+02 nan 0.92 nan nan nan nan nan 1.739495831e+02 nan nan 2.018795435e+02 nan 0.94 nan nan nan nan nan 1.585896612e+02 nan nan 1.837431751e+02 nan 0.96 nan 2.469912018e+02 nan 3.976104487e+02 3.975753719e+02 1.446016906e+02 nan nan 1.672263161e+02 2.511167544e+02 0.98 nan 2.256334576e+02 nan 3.662153784e+02 3.662425006e+02 1.317402103e+02 2.326468388e+02 nan 1.521342946e+02 2.299039201e+02 1.00 nan 2.063356425e+02 nan 3.371549186e+02 3.371435087e+02 1.203294421e+02 2.128624209e+02 nan 1.384951158e+02 2.107695831e+02 1.02 nan 1.886379827e+02 nan 3.107897949e+02 3.108000190e+02 1.097815384e+02 1.950226469e+02 nan 1.262155390e+02 1.928696214e+02 1.04 nan 1.726558614e+02 nan 2.866249910e+02 2.866588914e+02 1.001041281e+02 1.786215629e+02 nan 1.149289300e+02 1.769151994e+02 1.06 nan 1.579227565e+02 nan 2.642883693e+02 2.643073151e+02 9.145720619e+01 1.637014061e+02 nan 1.046547133e+02 1.620940391e+02 1.08 nan 1.444315373e+02 2.153417944e+02 2.437162517e+02 2.436865496e+02 8.371898998e+01 1.500495181e+02 2.237848002e+02 9.532360662e+01 1.486156281e+02 1.10 2.252472071e+02 1.322259664e+02 1.985419916e+02 2.250700502e+02 2.250424195e+02 7.652733477e+01 1.373866975e+02 2.063419731e+02 8.688262084e+01 1.364762044e+02 1.12 2.077183135e+02 1.208424001e+02 1.827865099e+02 2.077007710e+02 2.076663062e+02 6.991770076e+01 1.260245136e+02 1.901112991e+02 7.910938094e+01 1.250285430e+02 1.14 1.919583172e+02 1.106475700e+02 1.682177316e+02 1.918969793e+02 1.919649617e+02 6.379175472e+01 1.154436305e+02 1.752697187e+02 7.200928008e+01 1.144994997e+02 1.16 1.770569595e+02 1.011051650e+02 1.550077792e+02 1.771951466e+02 1.772568330e+02 5.829315695e+01 1.057292250e+02 1.615871171e+02 6.545727496e+01 1.050419232e+02 1.18 1.634304140e+02 9.246865602e+01 1.427571071e+02 1.635386489e+02 1.635580941e+02 5.326853309e+01 9.687536007e+01 1.490234306e+02 5.953520870e+01 9.645508649e+01 1.20 1.509629252e+02 8.436070351e+01 1.318729982e+02 1.510551810e+02 1.510749785e+02 4.873362782e+01 8.869209797e+01 1.374291066e+02 5.412489009e+01 8.828296686e+01 1.22 1.396491544e+02 7.716007285e+01 1.214370816e+02 1.395876004e+02 1.396053586e+02 4.453382696e+01 8.122103121e+01 1.267613627e+02 4.914899005e+01 8.091114502e+01 1.24 1.289043421e+02 7.030941821e+01 1.117154417e+02 1.289204849e+02 1.289132884e+02 4.058820435e+01 7.422221158e+01 1.169038927e+02 4.461223840e+01 7.430173213e+01 1.26 1.190761166e+02 6.425778009e+01 1.029754250e+02 1.190169052e+02 1.190065746e+02 3.702044630e+01 6.783132566e+01 1.078285116e+02 4.041609449e+01 6.800390741e+01 1.28 1.099331300e+02 5.846749195e+01 9.477311933e+01 1.097924069e+02 1.097650029e+02 3.377686326e+01 6.211663377e+01 9.928797473e+01 3.662108268e+01 6.217257621e+01 1.30 1.013682709e+02 5.333229215e+01 8.724272685e+01 1.013764377e+02 1.013940149e+02 3.087544274e+01 5.676620618e+01 9.140748793e+01 3.316428190e+01 5.686269112e+01 1.32 9.361060836e+01 4.846159957e+01 8.014571581e+01 9.359149048e+01 9.358325776e+01 2.807395266e+01 5.189015297e+01 8.412274318e+01 2.995204412e+01 5.188385521e+01 1.34 8.623199641e+01 4.393942320e+01 7.386856299e+01 8.633351926e+01 8.632673505e+01 2.555503869e+01 4.722670357e+01 7.748384894e+01 2.703332998e+01 4.730397050e+01 1.36 7.949471916e+01 3.990958663e+01 6.777866367e+01 7.958786791e+01 7.963072799e+01 2.319593582e+01 4.300310886e+01 7.124032019e+01 2.436516678e+01 4.318035824e+01 1.38 7.335799368e+01 3.617234807e+01 6.217350280e+01 7.339192376e+01 7.343023500e+01 2.105551319e+01 3.906559013e+01 6.549891785e+01 2.187460218e+01 3.948581437e+01 1.40 6.747160296e+01 3.263959251e+01 5.696789690e+01 6.755143385e+01 6.758569931e+01 1.906855781e+01 3.549025287e+01 6.017970078e+01 1.966597707e+01 3.588252881e+01 1.42 6.211341140e+01 2.948754186e+01 5.215403636e+01 6.211374345e+01 6.212084802e+01 1.724553771e+01 3.221628315e+01 5.520791227e+01 1.757233046e+01 3.265971976e+01 1.44 5.705069996e+01 2.663878635e+01 4.797094157e+01 5.709608054e+01 5.710262325e+01 1.570737750e+01 2.921667785e+01 5.068803885e+01 1.576602363e+01 2.959507409e+01 1.46 5.263640101e+01 2.389517867e+01 4.402066276e+01 5.255139051e+01 5.254764763e+01 1.435619122e+01 2.635601389e+01 4.649541745e+01 1.399114627e+01 2.686594736e+01 1.48 4.825649397e+01 2.135108712e+01 4.016007437e+01 4.822885179e+01 4.822574794e+01 1.291147190e+01 2.375394512e+01 4.255035688e+01 1.237987261e+01 2.425760966e+01 1.50 4.431220846e+01 1.901439652e+01 3.658878035e+01 4.434164313e+01 4.433910060e+01 1.158600092e+01 2.136893527e+01 3.887945018e+01 1.088378001e+01 2.199492232e+01 1.52 4.053571642e+01 1.701422388e+01 3.338178157e+01 4.056236712e+01 4.056031642e+01 1.036984668e+01 1.919462301e+01 3.552491450e+01 9.574047685e+00 1.976899227e+01 1.54 3.722301234e+01 1.507602684e+01 3.050326364e+01 3.717638572e+01 3.715117644e+01 9.348317464e+00 1.719603781e+01 3.238727551e+01 8.319963144e+00 1.790877375e+01 1.56 3.395668815e+01 1.324919814e+01 2.764595608e+01 3.396521723e+01 3.394283088e+01 8.314667418e+00 1.542337053e+01 2.948058087e+01 7.175266015e+00 1.600337339e+01 1.58 3.097738075e+01 1.159797599e+01 2.503573276e+01 3.096081565e+01 3.094094968e+01 7.399246923e+00 1.369241123e+01 2.674121862e+01 6.215949787e+00 1.427491596e+01 1.60 2.816455070e+01 1.005895662e+01 2.258788977e+01 2.819816230e+01 2.822877435e+01 6.526361742e+00 1.216448975e+01 2.418859883e+01 5.303856054e+00 1.265997659e+01 1.62 2.555664516e+01 8.812360758e+00 2.032406938e+01 2.563472828e+01 2.566253090e+01 5.725985120e+00 1.066296069e+01 2.189068999e+01 4.423489524e+00 1.117490866e+01 1.64 2.332699299e+01 7.504235745e+00 1.823070581e+01 2.327996579e+01 2.328169806e+01 4.992261439e+00 9.300536406e+00 1.975907046e+01 3.646122614e+00 9.809675459e+00 1.66 2.106713823e+01 6.307043404e+00 1.638868962e+01 2.109488134e+01 2.111995079e+01 4.319833827e+00 8.033650172e+00 1.775559851e+01 2.914620805e+00 8.555054358e+00 1.68 1.897282952e+01 5.212151726e+00 1.468368985e+01 1.902130614e+01 1.904409627e+01 3.750303092e+00 6.871548523e+00 1.586940833e+01 2.272652001e+00 7.402564844e+00 1.70 1.703222855e+01 4.211618730e+00 1.301344805e+01 1.707619096e+01 1.709691165e+01 3.181714544e+00 5.886363871e+00 1.418691985e+01 1.725988869e+00 6.530314275e+00 1.72 1.523439855e+01 3.396309752e+00 1.147082513e+01 1.532088510e+01 1.533972672e+01 2.661331558e+00 4.902757616e+00 1.263231236e+01 1.182660648e+00 5.541695414e+00 1.74 1.356922827e+01 2.626277676e+00 1.014044496e+01 1.364764201e+01 1.366477722e+01 2.279189522e+00 4.035454338e+00 1.113017330e+01 6.789989772e-01 4.635260137e+00 1.76 1.231186092e+01 1.875965692e+00 8.817388071e+00 1.221699826e+01 1.220887551e+01 1.835396462e+00 3.208852194e+00 9.898616730e+00 2.731637973e-01 3.899583359e+00 1.78 1.085864221e+01 1.169540515e+00 7.597097606e+00 1.077230924e+01 1.076494524e+01 1.430068998e+00 2.500298753e+00 8.602875819e+00 -1.305994636e-01 3.130564108e+00 1.80 9.514411951e+00 5.276668769e-01 6.472196987e+00 9.484825082e+00 9.478151440e+00 1.060177433e+00 1.806533726e+00 7.455911114e+00 -4.832432225e-01 2.427167478e+00 1.82 8.371674839e+00 -2.127704637e-02 5.561050279e+00 8.294721390e+00 8.263636748e+00 7.229371198e-01 1.205569773e+00 6.365489587e+00 -8.115340589e-01 1.817794952e+00 1.84 7.214220665e+00 -5.516186665e-01 4.595932954e+00 7.144136542e+00 7.115824372e+00 4.157873075e-01 7.388303799e-01 5.343465095e+00 -1.093382664e+00 1.228139714e+00 1.86 6.145204793e+00 -9.811624499e-01 3.895972486e+00 6.151814960e+00 6.149508262e+00 2.302842750e-01 2.026088667e-01 4.467100535e+00 -1.321406279e+00 6.905303329e-01 1.88 5.158455013e+00 -1.342929008e+00 3.063696335e+00 5.188898014e+00 5.186857275e+00 -3.171589414e-02 -2.843150105e-01 3.628364903e+00 -1.560753848e+00 2.010180421e-01 1.90 4.348806704e+00 -1.717307592e+00 2.299516977e+00 4.339075598e+00 4.324701947e+00 -2.694430875e-01 -7.257181840e-01 2.857075441e+00 -1.785186642e+00 -1.434815608e-01 1.92 3.501323529e+00 -2.078167219e+00 1.598560041e+00 3.492508989e+00 3.479408039e+00 -4.847979529e-01 -1.125092478e+00 2.114819323e+00 -1.984292254e+00 -5.559574752e-01 1.94 2.720821134e+00 -2.401271928e+00 1.004336738e+00 2.720843490e+00 2.708903168e+00 -6.314970904e-01 -1.485667157e+00 1.433553791e+00 -2.135778101e+00 -9.297701077e-01 1.96 2.002642542e+00 -2.689599219e+00 4.125835959e-01 2.053106794e+00 2.042224695e+00 -8.112188084e-01 -1.776996710e+00 8.089585406e-01 -2.268316146e+00 -1.267867167e+00 1.98 1.342457324e+00 -2.945902541e+00 -1.282409421e-01 1.388871425e+00 1.378953997e+00 -9.730931675e-01 -2.046263038e+00 2.689117851e-01 -2.383504577e+00 -1.572976479e+00 2.00 8.337806555e-01 -3.172728655e+00 -6.217881971e-01 8.276952723e-01 8.186570727e-01 -1.118521351e+00 -2.312044885e+00 -1.916754166e-01 -2.481126985e+00 -1.750079566e+00 2.02 2.699145127e-01 -3.372433566e+00 -1.071451388e+00 2.643295289e-01 2.560925361e-01 -1.248796445e+00 -2.549335792e+00 -6.768668439e-01 -2.589131127e+00 -2.004463662e+00 2.04 -2.465939430e-01 -3.547197143e+00 -1.480384828e+00 -2.041052320e-01 -1.639969284e-01 -1.365112163e+00 -2.694368872e+00 -1.085993481e+00 -2.681637873e+00 -2.232257075e+00 2.06 -7.190446269e-01 -3.628249254e+00 -1.851521575e+00 -6.799125353e-01 -6.429157134e-01 -1.468570812e+00 -2.870214912e+00 -1.491171728e+00 -2.759980879e+00 -2.435515673e+00 2.08 -1.150510938e+00 -3.740262339e+00 -2.187589664e+00 -1.114472530e+00 -1.080348227e+00 -1.560190584e+00 -3.040795278e+00 -1.859192849e+00 -2.825388771e+00 -2.616143962e+00 2.10 -1.444590099e+00 -3.841347677e+00 -2.401447511e+00 -1.459921035e+00 -1.448219784e+00 -1.598564601e+00 -3.177178199e+00 -2.108555953e+00 -2.878993460e+00 -2.694041441e+00 2.12 -1.762163760e+00 -3.929850812e+00 -2.640420216e+00 -1.801396396e+00 -1.795635679e+00 -1.649567551e+00 -3.272418151e+00 -2.410706111e+00 -2.897775465e+00 -2.800118011e+00 2.14 -2.097788511e+00 -4.015518523e+00 -2.895327320e+00 -2.134093281e+00 -2.128808832e+00 -1.715790295e+00 -3.388536463e+00 -2.688906143e+00 -2.932657022e+00 -2.931850256e+00 2.16 -2.401949355e+00 -4.085669447e+00 -3.123583674e+00 -2.435544476e+00 -2.430698380e+00 -1.773168095e+00 -3.455334904e+00 -2.939044507e+00 -2.958484360e+00 -3.046591461e+00 2.18 -2.676870368e+00 -4.141620915e+00 -3.327149334e+00 -2.707957971e+00 -2.703515311e+00 -1.822415602e+00 -3.525899562e+00 -3.163158192e+00 -2.951421913e+00 -3.145695221e+00 2.20 -2.924625492e+00 -4.184592110e+00 -3.507849161e+00 -2.906295626e+00 -2.902224244e+00 -1.864193835e+00 -3.566257395e+00 -3.363144691e+00 -2.963380699e+00 -3.230416269e+00 2.22 -3.147148997e+00 -4.215711292e+00 -3.667382345e+00 -3.130150621e+00 -3.126420903e+00 -1.899114287e+00 -3.596320932e+00 -3.540771803e+00 -2.968437740e+00 -3.301917745e+00 2.24 -3.322216933e+00 -4.187966022e+00 -3.711218320e+00 -3.318468825e+00 -3.327067612e+00 -1.831629814e+00 -3.649473478e+00 -3.681667872e+00 -2.967248195e+00 -3.313221454e+00 2.26 -3.501308946e+00 -4.201915037e+00 -3.840016332e+00 -3.497838441e+00 -3.505856529e+00 -1.861449525e+00 -3.691274688e+00 -3.820565406e+00 -2.960415387e+00 -3.364919766e+00 2.28 -3.660101899e+00 -4.206664580e+00 -3.951574263e+00 -3.656889443e+00 -3.664366438e+00 -1.885483241e+00 -3.722688844e+00 -3.941632394e+00 -2.948494786e+00 -3.406151973e+00 2.30 -3.800070237e+00 -4.203059025e+00 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