# 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 = AlMn3 # 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 2.324532923e+02 nan nan 0.98 2.128610984e+02 nan nan 1.00 1.951564016e+02 nan nan 1.02 1.788889809e+02 nan nan 1.04 1.641929787e+02 nan nan 1.06 1.506239045e+02 nan nan 1.08 1.382656603e+02 2.034891765e+02 nan 1.10 1.269422283e+02 1.880549249e+02 2.125387383e+02 1.12 1.164236836e+02 1.735808962e+02 1.964518915e+02 1.14 1.069824744e+02 1.601739324e+02 1.819679829e+02 1.16 9.811515226e+01 1.480016002e+02 1.682654883e+02 1.18 9.010778838e+01 1.367116105e+02 1.557209148e+02 1.20 8.257022405e+01 1.266528235e+02 1.442498879e+02 1.22 7.588113873e+01 1.170151139e+02 1.338061329e+02 1.24 6.948952072e+01 1.080167872e+02 1.238921069e+02 1.26 6.385422690e+01 9.987209487e+01 1.147993714e+02 1.28 5.842664126e+01 9.229734867e+01 1.063344269e+02 1.30 5.358322873e+01 8.531063915e+01 9.839846722e+01 1.32 4.901615651e+01 7.870418955e+01 9.119371778e+01 1.34 4.475506814e+01 7.284461143e+01 8.433613007e+01 1.36 4.091058663e+01 6.715853607e+01 7.807289228e+01 1.38 3.737231110e+01 6.191766655e+01 7.234672626e+01 1.40 3.402381141e+01 5.703973949e+01 6.685119108e+01 1.42 3.103410730e+01 5.252034304e+01 6.184770079e+01 1.44 2.832625964e+01 4.857670324e+01 5.710464866e+01 1.46 2.573131077e+01 4.486831833e+01 5.295295441e+01 1.48 2.328956597e+01 4.122289624e+01 4.883597487e+01 1.50 2.103964045e+01 3.784303637e+01 4.512951702e+01 1.52 1.911258421e+01 3.479675381e+01 4.156517131e+01 1.54 1.721768567e+01 3.205193486e+01 3.842454495e+01 1.56 1.544146933e+01 2.932988834e+01 3.532938129e+01 1.58 1.383052048e+01 2.683841912e+01 3.250258478e+01 1.60 1.232206187e+01 2.449373959e+01 2.982439085e+01 1.62 1.107715209e+01 2.231902497e+01 2.733500095e+01 1.64 9.785532772e+00 2.030195525e+01 2.519168559e+01 1.66 8.597636055e+00 1.851592604e+01 2.302422636e+01 1.68 7.505581840e+00 1.685736568e+01 2.100972889e+01 1.70 6.502111951e+00 1.523338070e+01 1.913743925e+01 1.72 5.642996784e+00 1.372799049e+01 1.739741519e+01 1.74 4.876306987e+00 1.242794129e+01 1.578045807e+01 1.76 4.102726693e+00 1.112686628e+01 1.453614334e+01 1.78 3.378602057e+00 9.921732021e+00 1.311739705e+01 1.80 2.715588383e+00 8.805808227e+00 1.180003688e+01 1.82 2.142806526e+00 7.886270059e+00 1.067823887e+01 1.84 1.585789717e+00 6.920782799e+00 9.534875068e+00 1.86 1.109102062e+00 6.198383097e+00 8.474161598e+00 1.88 7.309494656e-01 5.358725742e+00 7.490467411e+00 1.90 3.528227558e-01 4.583193583e+00 6.669651846e+00 1.92 -4.351121624e-02 3.867326707e+00 5.817172932e+00 1.94 -4.033011981e-01 3.255611097e+00 5.027703494e+00 1.96 -7.293084862e-01 2.643126181e+00 4.296982312e+00 1.98 -1.024091182e+00 2.079026433e+00 3.621042664e+00 2.00 -1.290019720e+00 1.559956305e+00 3.094851804e+00 2.02 -1.529291120e+00 1.082793312e+00 2.510154797e+00 2.04 -1.743942083e+00 6.446308858e-01 1.970464784e+00 2.06 -1.890874672e+00 2.427625976e-01 1.472748532e+00 2.08 -2.036797280e+00 -1.253323635e-01 1.014177446e+00 2.10 -2.182754483e+00 -3.855284125e-01 6.827237063e-01 2.12 -2.314106048e+00 -6.568221256e-01 3.307843339e-01 2.14 -2.437471576e+00 -9.454754330e-01 -3.495616580e-02 2.16 -2.545207646e+00 -1.208208584e+00 -3.703909489e-01 2.18 -2.638553961e+00 -1.446841605e+00 -6.775754904e-01 2.20 -2.718660605e+00 -1.663071832e+00 -9.584293793e-01 2.22 -2.786594527e+00 -1.858482440e+00 -1.214745667e+00 2.24 -2.794695065e+00 -1.937249389e+00 -1.423874287e+00 2.26 -2.844498787e+00 -2.101987322e+00 -1.637689724e+00 2.28 -2.884663431e+00 -2.249593963e+00 -1.831557859e+00 2.30 -2.915994358e+00 -2.381299817e+00 -2.006853715e+00 2.32 -2.909420559e+00 -2.498253282e+00 -2.164862686e+00 2.34 -2.838691971e+00 -2.601526194e+00 -2.306786512e+00 2.36 -2.855586336e+00 -2.692118964e+00 -2.433748832e+00 2.38 -2.865805172e+00 -2.770965369e+00 -2.546800348e+00 2.40 -2.869934962e+00 -2.838936992e+00 -2.475757875e+00 2.42 -2.868519531e+00 -2.896847362e+00 -2.575202145e+00 2.44 -2.862063021e+00 -2.854182663e+00 -2.662749470e+00 2.46 -2.851032662e+00 -2.900097139e+00 -2.739252368e+00 2.48 -2.835861341e+00 -2.937700189e+00 -2.805508198e+00 2.50 -2.816949998e+00 -2.967633217e+00 -2.862262710e+00 2.52 -2.794669844e+00 -2.904027829e+00 -2.910213361e+00 2.54 -2.769364436e+00 -2.925829689e+00 -2.950012408e+00 2.56 -2.741351596e+00 -2.941297490e+00 -2.982269798e+00 2.58 -2.710925206e+00 -2.950938775e+00 -2.974468116e+00 2.60 -2.678356872e+00 -2.955227086e+00 -2.995279160e+00 2.62 -2.643897475e+00 -2.954604153e+00 -3.010034208e+00 2.64 -2.607778618e+00 -2.949481952e+00 -3.019206080e+00 2.66 -2.570213964e+00 -2.940244611e+00 -3.023236724e+00 2.68 -2.531400498e+00 -2.927250208e+00 -3.022539157e+00 2.70 -2.476166259e+00 -2.910832443e+00 -3.017499293e+00 2.72 -2.436337281e+00 -2.891302205e+00 -3.008477644e+00 2.74 -2.395702786e+00 -2.844382154e+00 -2.995810918e+00 2.76 -2.296962125e+00 -2.820852183e+00 -2.979813511e+00 2.78 -2.258351779e+00 -2.794942626e+00 -2.960778907e+00 2.80 -2.219157114e+00 -2.766891153e+00 -2.938980992e+00 2.82 -2.163584086e+00 -2.736918837e+00 -2.824067894e+00 2.84 -2.124517598e+00 -2.705231211e+00 -2.802586913e+00 2.86 -2.085146412e+00 -2.672019269e+00 -2.778773440e+00 2.88 -2.045567309e+00 -2.637460398e+00 -2.752850286e+00 2.90 -2.005868838e+00 -2.601719254e+00 -2.725025219e+00 2.92 -1.966131891e+00 -2.564948578e+00 -2.695491903e+00 2.94 -1.926430245e+00 -2.527289967e+00 -2.664430766e+00 2.96 -1.886831068e+00 -2.488874592e+00 -2.632009830e+00 2.98 -1.847395386e+00 -2.449823871e+00 -2.598385476e+00 3.00 -1.808178522e+00 -2.410250105e+00 -2.563703174e+00 3.02 -1.769230508e+00 -2.370257062e+00 -2.528098160e+00 3.04 -1.730596468e+00 -2.329940540e+00 -2.491696074e+00 3.06 -1.692316971e+00 -2.289388884e+00 -2.454613563e+00 3.08 -1.654428367e+00 -2.248683471e+00 -2.416958843e+00 3.10 -1.616963098e+00 -2.207899170e+00 -2.378832228e+00 3.12 -1.579949986e+00 -2.167104772e+00 -2.340326627e+00 3.14 -1.543414503e+00 -2.126363385e+00 -2.301528011e+00 3.16 -1.482573017e+00 -2.056083554e+00 -2.212903837e+00 3.18 -1.448265406e+00 -2.017112289e+00 -2.176168215e+00 3.20 -1.414435358e+00 -1.978277834e+00 -2.139242465e+00 3.22 -1.381100150e+00 -1.939627855e+00 -2.102194621e+00 3.24 -1.348274676e+00 -1.901205819e+00 -2.065087455e+00 3.26 -1.315971632e+00 -1.863051273e+00 -2.027978807e+00 3.28 -1.284201686e+00 -1.825200110e+00 -1.990921899e+00 3.30 -1.252973638e+00 -1.698624039e+00 -1.953965630e+00 3.32 -1.222294568e+00 -1.665779878e+00 -1.917154853e+00 3.34 -1.192169978e+00 -1.633119992e+00 -1.880530633e+00 3.36 -1.162603915e+00 -1.600677849e+00 -1.844130493e+00 3.38 -1.102527176e+00 -1.568483895e+00 -1.807988646e+00 3.40 -1.075632040e+00 -1.536565751e+00 -1.772136207e+00 3.42 -1.049223332e+00 -1.504948401e+00 -1.736601398e+00 3.44 -1.023304191e+00 -1.473654368e+00 -1.701409742e+00 3.46 -9.978766455e-01 -1.442703881e+00 -1.666584236e+00 3.48 -9.729417086e-01 -1.412115027e+00 -1.632145525e+00 3.50 -9.192586356e-01 -1.381903903e+00 -1.598112060e+00 3.52 -8.966026212e-01 -1.352084747e+00 -1.564500243e+00 3.54 -8.743801149e-01 -1.322670071e+00 -1.531324571e+00 3.56 -8.525913286e-01 -1.293670778e+00 -1.498597764e+00 3.58 -8.312357296e-01 -1.265096281e+00 -1.466330893e+00 3.60 -8.103121058e-01 -1.236954605e+00 -1.434533490e+00 3.62 -7.898186253e-01 -1.209252489e+00 -1.403213660e+00 3.64 -7.519772106e-01 -1.181995478e+00 -1.281648017e+00 3.66 -7.330273361e-01 -1.155188014e+00 -1.255279259e+00 3.68 -7.144724174e-01 -1.128833516e+00 -1.229231319e+00 3.70 -6.963096557e-01 -1.102934458e+00 -1.203515041e+00 3.72 -6.785358415e-01 -1.077492442e+00 -1.178139979e+00 3.74 -6.611473946e-01 -1.052508265e+00 -1.153114481e+00 3.76 -6.441404012e-01 -1.027981985e+00 -1.128445773e+00 3.78 -6.275106491e-01 -1.003912975e+00 -1.104140033e+00 3.80 -6.112536593e-01 -9.802999880e-01 -1.080202466e+00 3.82 -5.953647166e-01 -9.571411990e-01 -1.056637370e+00 3.84 -5.798388967e-01 -9.344342610e-01 -1.033448204e+00 3.86 -5.646710928e-01 -8.615225252e-01 -1.010637643e+00 3.88 -5.498560389e-01 -8.417341717e-01 -9.882076402e-01 3.90 -5.353883322e-01 -8.223071280e-01 -9.661594746e-01 3.92 -5.212624535e-01 -8.032405774e-01 -9.444938059e-01 3.94 -5.074727863e-01 -7.845332555e-01 -9.232107195e-01 3.96 -4.940136343e-01 -7.661834871e-01 -9.023097708e-01 3.98 -4.808792374e-01 -7.481892206e-01 -8.817900270e-01 4.00 -4.680637868e-01 -7.305480608e-01 -8.616501061e-01 4.02 -4.555614385e-01 -7.132572994e-01 -8.418882134e-01 4.04 -4.433663262e-01 -6.963139430e-01 -8.225021757e-01 4.06 -4.314725725e-01 -6.797147403e-01 -8.034894739e-01 4.08 -4.198743001e-01 -6.634562066e-01 -7.848472727e-01 4.10 -4.085656409e-01 -6.475346474e-01 -7.665724492e-01 4.12 -3.975407452e-01 -6.319461798e-01 -7.486616193e-01 4.14 -3.867937899e-01 -6.166867531e-01 -7.311111624e-01 4.16 -3.763189857e-01 -6.017521678e-01 -7.139172447e-01 4.18 -3.661105836e-01 -5.871380928e-01 -6.970758409e-01 4.20 -3.561628816e-01 -5.728400825e-01 -6.805827545e-01 4.22 -3.464702296e-01 -5.588535917e-01 -6.644336367e-01 4.24 -3.370270343e-01 -5.451739899e-01 -6.486240040e-01 4.26 -3.278277641e-01 -5.317965749e-01 -6.331492551e-01 4.28 -3.188669526e-01 -5.187165847e-01 -6.180046859e-01 4.30 -3.101392023e-01 -5.059292092e-01 -6.031855039e-01 4.32 -3.016391876e-01 -4.934296009e-01 -5.886868418e-01 4.34 -2.933616575e-01 -4.812128843e-01 -5.745037699e-01 4.36 -2.853014380e-01 -4.692741656e-01 -5.606313072e-01 4.38 -2.774534343e-01 -4.576085406e-01 -5.470644330e-01 4.40 -2.698126320e-01 -4.462111028e-01 -5.337980959e-01 4.42 -2.623740994e-01 -4.350769503e-01 -5.208272238e-01 4.44 -2.551329877e-01 -4.242011927e-01 -5.081467320e-01 4.46 -2.480845326e-01 -4.135789568e-01 -4.705520013e-01 4.48 -2.412240551e-01 -4.032053924e-01 -4.593112993e-01 4.50 -2.345469615e-01 -3.930756774e-01 -4.483154156e-01 4.52 -2.280487442e-01 -3.831850221e-01 -4.375603313e-01 4.54 -2.217249816e-01 -3.735286739e-01 -4.270420141e-01 4.56 -2.155713384e-01 -3.641019210e-01 -4.167564246e-01 4.58 -2.095835653e-01 -3.549000956e-01 -4.066995216e-01 4.60 -2.037574986e-01 -3.459185776e-01 -3.968672683e-01 4.62 -1.980890600e-01 -3.371527968e-01 -3.872556368e-01 4.64 -1.925742562e-01 -3.285982359e-01 -3.778606129e-01 4.66 -1.872091781e-01 -3.202504329e-01 -3.686782004e-01 4.68 -1.819900003e-01 -3.121049823e-01 -3.597044250e-01 4.70 -1.769129802e-01 -3.041575379e-01 -3.509353376e-01 4.72 -1.719744572e-01 -2.964038138e-01 -3.423670183e-01 4.74 -1.671708520e-01 -2.888395855e-01 -3.339955784e-01 4.76 -1.624986654e-01 -2.814606918e-01 -3.258171640e-01 4.78 -1.579544772e-01 -2.742630350e-01 -3.178279581e-01 4.80 -1.535349457e-01 -2.672425822e-01 -3.100241827e-01 4.82 -1.492368059e-01 -2.603953659e-01 -3.024021013e-01 4.84 -1.450568690e-01 -2.537174841e-01 -2.949580201e-01 4.86 -1.409920208e-01 -2.472051013e-01 -2.876882901e-01 4.88 -1.370392206e-01 -2.408544481e-01 -2.805893083e-01 4.90 -1.331955003e-01 -2.346618219e-01 -2.736575191e-01 4.92 -1.294579628e-01 -2.286235867e-01 -2.668894153e-01 4.94 -1.258237810e-01 -2.227361728e-01 -2.602815391e-01 4.96 -1.222901963e-01 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