# 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 = Fe3Mn # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.406594058e+02 nan nan 0.98 2.198992936e+02 nan nan 1.00 2.011247601e+02 nan nan 1.02 1.839160195e+02 nan nan 1.04 1.683586696e+02 nan nan 1.06 1.540365420e+02 nan nan 1.08 1.408962958e+02 2.098810797e+02 nan 1.10 1.290364505e+02 1.935246382e+02 2.195091870e+02 1.12 1.179735865e+02 1.782099228e+02 2.024739061e+02 1.14 1.080478005e+02 1.640537586e+02 1.871300844e+02 1.16 9.878006032e+01 1.512036050e+02 1.726508699e+02 1.18 9.037121904e+01 1.392938918e+02 1.594022948e+02 1.20 8.249516189e+01 1.286819272e+02 1.472748994e+02 1.22 7.548070078e+01 1.185382556e+02 1.362530173e+02 1.24 6.882680727e+01 1.090945430e+02 1.258084172e+02 1.26 6.292064089e+01 1.005483684e+02 1.162466142e+02 1.28 5.729879958e+01 9.261296971e+01 1.073542311e+02 1.30 5.230911068e+01 8.528961291e+01 9.903263485e+01 1.32 4.757063938e+01 7.839614484e+01 9.148241420e+01 1.34 4.317895341e+01 7.227805305e+01 8.431541254e+01 1.36 3.926833145e+01 6.636379673e+01 7.776498725e+01 1.38 3.563055523e+01 6.091821642e+01 7.178941513e+01 1.40 3.219830916e+01 5.586168398e+01 6.607216094e+01 1.42 2.912942737e+01 5.118509806e+01 6.086143987e+01 1.44 2.634537567e+01 4.710095801e+01 5.594368033e+01 1.46 2.367261057e+01 4.325190455e+01 5.163491849e+01 1.48 2.120162813e+01 3.950304889e+01 4.738143711e+01 1.50 1.893147725e+01 3.603454721e+01 4.354323019e+01 1.52 1.697173699e+01 3.291225524e+01 3.987541218e+01 1.54 1.509049936e+01 3.010249997e+01 3.664376024e+01 1.56 1.331534145e+01 2.732791162e+01 3.347175013e+01 1.58 1.170869835e+01 2.479068526e+01 3.057489745e+01 1.60 1.021223569e+01 2.241287109e+01 2.784257678e+01 1.62 8.989257926e+00 2.021329620e+01 2.530881370e+01 1.64 7.717144366e+00 1.817883215e+01 2.312828730e+01 1.66 6.552337647e+00 1.638127669e+01 2.093299979e+01 1.68 5.486495601e+00 1.471707121e+01 1.889803691e+01 1.70 4.511942399e+00 1.309362599e+01 1.701194354e+01 1.72 3.719787969e+00 1.159372688e+01 1.526413580e+01 1.74 2.955639193e+00 1.029374512e+01 1.364482774e+01 1.76 2.224772091e+00 9.006903659e+00 1.240056296e+01 1.78 1.535477778e+00 7.819526379e+00 1.098827034e+01 1.80 9.086062280e-01 6.724479598e+00 9.681424016e+00 1.82 3.696728845e-01 5.827671619e+00 8.563683377e+00 1.84 -1.491705402e-01 4.888003970e+00 7.438039172e+00 1.86 -5.688924626e-01 4.191881077e+00 6.397937428e+00 1.88 -9.375738304e-01 3.381766679e+00 5.437413630e+00 1.90 -1.312992449e+00 2.637454553e+00 4.641312146e+00 1.92 -1.666417988e+00 1.954239608e+00 3.816057114e+00 1.94 -1.983429637e+00 1.371416677e+00 3.055566749e+00 1.96 -2.266893908e+00 7.939615754e-01 2.355342922e+00 1.98 -2.519461608e+00 2.657201600e-01 1.711202747e+00 2.00 -2.743584557e+00 -2.168313347e-01 1.207924132e+00 2.02 -2.941530917e+00 -6.569676603e-01 6.573679384e-01 2.04 -3.115399277e+00 -1.057733062e+00 1.525907777e-01 2.06 -3.196344279e+00 -1.421958291e+00 -3.095930235e-01 2.08 -3.313906149e+00 -1.752276268e+00 -7.321505299e-01 2.10 -3.415893234e+00 -1.975252267e+00 -1.028894339e+00 2.12 -3.505919040e+00 -2.209359595e+00 -1.343864272e+00 2.14 -3.593673209e+00 -2.460576761e+00 -1.673054919e+00 2.16 -3.666421476e+00 -2.686052069e+00 -1.971856889e+00 2.18 -3.725432203e+00 -2.887674500e+00 -2.242414299e+00 2.20 -3.771879240e+00 -3.067202730e+00 -2.486726536e+00 2.22 -3.806848887e+00 -3.226274310e+00 -2.706658336e+00 2.24 -3.787665064e+00 -3.279051638e+00 -2.882108485e+00 2.26 -3.805797891e+00 -3.408035096e+00 -3.059969770e+00 2.28 -3.815018602e+00 -3.520369182e+00 -3.218211701e+00 2.30 -3.816139448e+00 -3.617318900e+00 -3.358255339e+00 2.32 -3.762984884e+00 -3.700062422e+00 -3.481426772e+00 2.34 -3.693171900e+00 -3.769697042e+00 -3.588963550e+00 2.36 -3.681554501e+00 -3.827244713e+00 -3.682020640e+00 2.38 -3.664010253e+00 -3.873657183e+00 -3.761675973e+00 2.40 -3.641122259e+00 -3.909820763e+00 -3.659453007e+00 2.42 -3.613429246e+00 -3.936560763e+00 -3.726831464e+00 2.44 -3.581428746e+00 -3.864078172e+00 -3.782842005e+00 2.46 -3.545580049e+00 -3.880263188e+00 -3.828355555e+00 2.48 -3.506306945e+00 -3.888773296e+00 -3.864184861e+00 2.50 -3.464000267e+00 -3.890254651e+00 -3.891088313e+00 2.52 -3.419020250e+00 -3.799662911e+00 -3.909773506e+00 2.54 -3.371698733e+00 -3.794422374e+00 -3.920900554e+00 2.56 -3.322341189e+00 -3.783473447e+00 -3.925085191e+00 2.58 -3.271228622e+00 -3.767323516e+00 -3.893152455e+00 2.60 -3.218619329e+00 -3.746444501e+00 -3.887019553e+00 2.62 -3.164750530e+00 -3.721275205e+00 -3.875434375e+00 2.64 -3.109839891e+00 -3.692223500e+00 -3.858869590e+00 2.66 -3.054086936e+00 -3.659668378e+00 -3.837765678e+00 2.68 -2.997674362e+00 -3.623961852e+00 -3.812533013e+00 2.70 -2.916625339e+00 -3.585430742e+00 -3.783553804e+00 2.72 -2.860839120e+00 -3.544378342e+00 -3.751183913e+00 2.74 -2.804764426e+00 -3.479013276e+00 -3.715754550e+00 2.76 -2.709623719e+00 -3.435061675e+00 -3.677573866e+00 2.78 -2.655685042e+00 -3.389293940e+00 -3.636928437e+00 2.80 -2.601680483e+00 -3.341938460e+00 -3.594084653e+00 2.82 -2.522713303e+00 -3.293206650e+00 -3.459404862e+00 2.84 -2.470331171e+00 -3.243294072e+00 -3.418104414e+00 2.86 -2.418093213e+00 -3.192381493e+00 -3.374995009e+00 2.88 -2.366083887e+00 -3.140635862e+00 -3.330291754e+00 2.90 -2.314379536e+00 -3.088211235e+00 -3.284194328e+00 2.92 -2.263048988e+00 -3.035249629e+00 -3.236887965e+00 2.94 -2.212154110e+00 -2.981881836e+00 -3.188544386e+00 2.96 -2.161750331e+00 -2.928228167e+00 -3.139322663e+00 2.98 -2.111887126e+00 -2.874399161e+00 -3.089370038e+00 3.00 -2.062608465e+00 -2.820496246e+00 -3.038822680e+00 3.02 -2.013953235e+00 -2.766612349e+00 -2.987806406e+00 3.04 -1.965955627e+00 -2.712832480e+00 -2.936437349e+00 3.06 -1.918645504e+00 -2.659234269e+00 -2.884822590e+00 3.08 -1.872048736e+00 -2.605888468e+00 -2.833060742e+00 3.10 -1.826187518e+00 -2.552859431e+00 -2.781242513e+00 3.12 -1.781080660e+00 -2.500205549e+00 -2.729451214e+00 3.14 -1.736743862e+00 -2.447979668e+00 -2.677763254e+00 3.16 -1.670887481e+00 -2.366834447e+00 -2.581643629e+00 3.18 -1.629286365e+00 -2.317133180e+00 -2.532685529e+00 3.20 -1.588426145e+00 -2.267909596e+00 -2.483902905e+00 3.22 -1.548315521e+00 -2.219202063e+00 -2.435354995e+00 3.24 -1.508961023e+00 -2.171044895e+00 -2.387095836e+00 3.26 -1.470367204e+00 -2.123468647e+00 -2.339174609e+00 3.28 -1.432536798e+00 -2.076500378e+00 -2.291635962e+00 3.30 -1.395470891e+00 -1.941863118e+00 -2.244520321e+00 3.32 -1.359169058e+00 -1.900585528e+00 -2.197864168e+00 3.34 -1.323629505e+00 -1.859759649e+00 -2.151700313e+00 3.36 -1.288849192e+00 -1.819411703e+00 -2.106058146e+00 3.38 -1.205977349e+00 -1.779565003e+00 -2.060963873e+00 3.40 -1.175070928e+00 -1.740240158e+00 -2.016440735e+00 3.42 -1.144793933e+00 -1.701455260e+00 -1.972509217e+00 3.44 -1.115144914e+00 -1.663226070e+00 -1.929187244e+00 3.46 -1.086121429e+00 -1.625566182e+00 -1.886490360e+00 3.48 -1.057720136e+00 -1.588487184e+00 -1.844431905e+00 3.50 -1.010105477e+00 -1.551998804e+00 -1.803023167e+00 3.52 -9.838752269e-01 -1.516109046e+00 -1.762273541e+00 3.54 -9.582082078e-01 -1.480824326e+00 -1.722190662e+00 3.56 -9.331003415e-01 -1.446149590e+00 -1.682780543e+00 3.58 -9.085469232e-01 -1.412088425e+00 -1.644047694e+00 3.60 -8.845426850e-01 -1.378643171e+00 -1.605995243e+00 3.62 -8.610818538e-01 -1.345815017e+00 -1.568625037e+00 3.64 -8.328454404e-01 -1.313604093e+00 -1.441926769e+00 3.66 -8.106976613e-01 -1.282009561e+00 -1.409994262e+00 3.68 -7.890621831e-01 -1.251029694e+00 -1.378559458e+00 3.70 -7.679322306e-01 -1.220661952e+00 -1.347628232e+00 3.72 -7.473007349e-01 -1.190903052e+00 -1.317205271e+00 3.74 -7.271603706e-01 -1.161749037e+00 -1.287294156e+00 3.76 -7.075035919e-01 -1.133195335e+00 -1.257897451e+00 3.78 -6.883226638e-01 -1.105236821e+00 -1.229016774e+00 3.80 -6.696096930e-01 -1.077867864e+00 -1.200652872e+00 3.82 -6.513566549e-01 -1.051082383e+00 -1.172805688e+00 3.84 -6.335554193e-01 -1.024873892e+00 -1.145474428e+00 3.86 -6.161977738e-01 -9.536284554e-01 -1.118657614e+00 3.88 -5.992754451e-01 -9.304985313e-01 -1.092353148e+00 3.90 -5.827801187e-01 -9.078415114e-01 -1.066558358e+00 3.92 -5.667034575e-01 -8.856531697e-01 -1.041270049e+00 3.94 -5.510371176e-01 -8.639289204e-01 -1.016484552e+00 3.96 -5.357727640e-01 -8.426638536e-01 -9.921977624e-01 3.98 -5.209020844e-01 -8.218527686e-01 -9.684051825e-01 4.00 -5.064168014e-01 -8.014902051e-01 -9.451019593e-01 4.02 -4.923086840e-01 -7.815704725e-01 -9.222829191e-01 4.04 -4.785695582e-01 -7.620876767e-01 -8.999426001e-01 4.06 -4.651913163e-01 -7.430357452e-01 -8.780752837e-01 4.08 -4.521659248e-01 -7.244084507e-01 -8.566750225e-01 4.10 -4.394854328e-01 -7.061994330e-01 -8.357356672e-01 4.12 -4.271419777e-01 -6.884022187e-01 -8.152508915e-01 4.14 -4.151277924e-01 -6.710102404e-01 -7.952142149e-01 4.16 -4.034352097e-01 -6.540168541e-01 -7.756190246e-01 4.18 -3.920566672e-01 -6.374153548e-01 -7.564585952e-01 4.20 -3.809847117e-01 -6.211989921e-01 -7.377261073e-01 4.22 -3.702120023e-01 -6.053609833e-01 -7.194146651e-01 4.24 -3.597313140e-01 -5.898945265e-01 -7.015173120e-01 4.26 -3.495355397e-01 -5.747928122e-01 -6.840270454e-01 4.28 -3.396176926e-01 -5.600490342e-01 -6.669368307e-01 4.30 -3.299709081e-01 -5.456563993e-01 -6.502396137e-01 4.32 -3.205884448e-01 -5.316081365e-01 -6.339283327e-01 4.34 -3.114636860e-01 -5.178975052e-01 -6.179959286e-01 4.36 -3.025901400e-01 -5.045178032e-01 -6.024353554e-01 4.38 -2.939614411e-01 -4.914623730e-01 -5.872395892e-01 4.40 -2.855713491e-01 -4.787246088e-01 -5.724016364e-01 4.42 -2.774137497e-01 -4.662979617e-01 -5.579145415e-01 4.44 -2.694826545e-01 -4.541759452e-01 -5.437713941e-01 4.46 -2.617721999e-01 -4.423521399e-01 -5.072843833e-01 4.48 -2.542766468e-01 -4.308201972e-01 -4.946489324e-01 4.50 -2.469903799e-01 -4.195738437e-01 -4.823060365e-01 4.52 -2.399079068e-01 -4.086068844e-01 -4.702501563e-01 4.54 -2.330238563e-01 -3.979132051e-01 -4.584757833e-01 4.56 -2.263329783e-01 -3.874867758e-01 -4.469774455e-01 4.58 -2.198301414e-01 -3.773216524e-01 -4.357497118e-01 4.60 -2.135103323e-01 -3.674119789e-01 -4.247871961e-01 4.62 -2.073686538e-01 -3.577519889e-01 -4.140845622e-01 4.64 -2.014003236e-01 -3.483360073e-01 -4.036365262e-01 4.66 -1.956006724e-01 -3.391584509e-01 -3.934378607e-01 4.68 -1.899651427e-01 -3.302138300e-01 -3.834833971e-01 4.70 -1.844892862e-01 -3.214967487e-01 -3.737680284e-01 4.72 -1.791687630e-01 -3.130019052e-01 -3.642867118e-01 4.74 -1.739993392e-01 -3.047240928e-01 -3.550344701e-01 4.76 -1.689768854e-01 -2.966581993e-01 -3.460063940e-01 4.78 -1.640973743e-01 -2.887992077e-01 -3.371976436e-01 4.80 -1.593568796e-01 -2.811421954e-01 -3.286034496e-01 4.82 -1.547515736e-01 -2.736823344e-01 -3.202191145e-01 4.84 -1.502777254e-01 -2.664148908e-01 -3.120400135e-01 4.86 -1.459316990e-01 -2.593352243e-01 -3.040615954e-01 4.88 -1.417099516e-01 -2.524387875e-01 -2.962793832e-01 4.90 -1.376090312e-01 -2.457211253e-01 -2.886889745e-01 4.92 -1.336255754e-01 -2.391778741e-01 -2.812860417e-01 4.94 -1.297563089e-01 -2.328047610e-01 -2.740663325e-01 4.96 -1.259980422e-01 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