# 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 = Cr3Mn # 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 2.912180506e+02 nan nan 0.98 2.659822904e+02 nan nan 1.00 2.431268385e+02 nan nan 1.02 2.222315739e+02 nan nan 1.04 2.032993991e+02 nan nan 1.06 1.859251134e+02 nan nan 1.08 1.700298620e+02 2.537189597e+02 nan 1.10 1.556112425e+02 2.337579392e+02 2.654030127e+02 1.12 1.422640385e+02 2.151971019e+02 2.447571001e+02 1.14 1.302150024e+02 1.980826288e+02 2.260363944e+02 1.16 1.190386843e+02 1.824864844e+02 2.085229136e+02 1.18 1.088756937e+02 1.680717976e+02 1.924681089e+02 1.20 9.942612822e+01 1.550913429e+02 1.777412775e+02 1.22 9.093259663e+01 1.428395459e+02 1.642957880e+02 1.24 8.296690475e+01 1.314761281e+02 1.516699706e+02 1.26 7.582670238e+01 1.211326992e+02 1.400828419e+02 1.28 6.910710154e+01 1.115518974e+02 1.293339199e+02 1.30 6.307364930e+01 1.027121399e+02 1.193194541e+02 1.32 5.741675640e+01 9.444826570e+01 1.101795684e+02 1.34 5.218884644e+01 8.701896469e+01 1.015800024e+02 1.36 4.748189439e+01 7.994624048e+01 9.369026425e+01 1.38 4.312866527e+01 7.342865531e+01 8.646123988e+01 1.40 3.905796549e+01 6.738817393e+01 7.962087899e+01 1.42 3.538681103e+01 6.180436278e+01 7.335522872e+01 1.44 3.204690187e+01 5.683607255e+01 6.748040245e+01 1.46 2.888674149e+01 5.218354173e+01 6.223845186e+01 1.48 2.596928361e+01 4.773045454e+01 5.717197207e+01 1.50 2.329018010e+01 4.361235066e+01 5.256085266e+01 1.52 2.093420250e+01 3.987394112e+01 4.820019661e+01 1.54 1.870031106e+01 3.647990262e+01 4.429500324e+01 1.56 1.661390389e+01 3.319965216e+01 4.053365358e+01 1.58 1.471787625e+01 3.019000770e+01 3.708294051e+01 1.60 1.296107795e+01 2.738247845e+01 3.384760573e+01 1.62 1.146990155e+01 2.478658772e+01 3.084880071e+01 1.64 9.982441916e+00 2.238665298e+01 2.820544037e+01 1.66 8.620759568e+00 2.023575629e+01 2.561544885e+01 1.68 7.374989422e+00 1.824590754e+01 2.321567135e+01 1.70 6.236057677e+00 1.633864699e+01 2.099243242e+01 1.72 5.269841662e+00 1.457720992e+01 1.893309642e+01 1.74 4.363024887e+00 1.301896720e+01 1.702598048e+01 1.76 3.503614217e+00 1.151152725e+01 1.546616328e+01 1.78 2.702879212e+00 1.012102889e+01 1.381216051e+01 1.80 1.974472090e+00 8.839009322e+00 1.228217298e+01 1.82 1.336993482e+00 7.748482359e+00 1.094022671e+01 1.84 7.344519751e-01 6.652130178e+00 9.625894172e+00 1.86 2.264834348e-01 5.779073741e+00 8.411756919e+00 1.88 -2.182269550e-01 4.838940955e+00 7.290764384e+00 1.90 -6.550981875e-01 3.975217253e+00 6.329363484e+00 1.92 -1.064252627e+00 3.182381793e+00 5.369047431e+00 1.94 -1.431761276e+00 2.490153364e+00 4.484179986e+00 1.96 -1.760942339e+00 1.821064215e+00 3.669466377e+00 1.98 -2.054861436e+00 1.208842454e+00 2.919985206e+00 2.00 -2.316351298e+00 6.493694053e-01 2.301963517e+00 2.02 -2.548029832e+00 1.388199731e-01 1.663557830e+00 2.04 -2.752316698e+00 -3.263592311e-01 1.078096215e+00 2.06 -2.878048431e+00 -7.494700036e-01 5.418510632e-01 2.08 -3.021642033e+00 -1.133581058e+00 5.135280094e-02 2.10 -3.148769648e+00 -1.420256968e+00 -3.246551581e-01 2.12 -3.260455432e+00 -1.706306992e+00 -7.041808923e-01 2.14 -3.364481465e+00 -1.996950921e+00 -1.084050119e+00 2.16 -3.451724053e+00 -2.258284112e+00 -1.429173993e+00 2.18 -3.523621543e+00 -2.492486320e+00 -1.742036194e+00 2.20 -3.581503261e+00 -2.701584951e+00 -2.024950773e+00 2.22 -3.626597653e+00 -2.887465873e+00 -2.280074036e+00 2.24 -3.625183414e+00 -2.982170684e+00 -2.491987353e+00 2.26 -3.650667871e+00 -3.132048841e+00 -2.698743065e+00 2.28 -3.666317052e+00 -3.263213580e+00 -2.883235752e+00 2.30 -3.673040491e+00 -3.377107614e+00 -3.047100412e+00 2.32 -3.636288953e+00 -3.475073016e+00 -3.191861206e+00 2.34 -3.577784252e+00 -3.558358202e+00 -3.318939016e+00 2.36 -3.568709858e+00 -3.628124416e+00 -3.429658471e+00 2.38 -3.553250808e+00 -3.685451744e+00 -3.525254465e+00 2.40 -3.532047842e+00 -3.731344701e+00 -3.470389715e+00 2.42 -3.505691775e+00 -3.766737418e+00 -3.548825913e+00 2.44 -3.474727158e+00 -3.719351449e+00 -3.614674585e+00 2.46 -3.439655662e+00 -3.741370687e+00 -3.668916710e+00 2.48 -3.400939216e+00 -3.754964383e+00 -3.712466484e+00 2.50 -3.359002918e+00 -3.760854276e+00 -3.746175767e+00 2.52 -3.314237735e+00 -3.690706647e+00 -3.770838232e+00 2.54 -3.267003006e+00 -3.687831626e+00 -3.787193224e+00 2.56 -3.217628763e+00 -3.678809036e+00 -3.795929362e+00 2.58 -3.166417886e+00 -3.664197397e+00 -3.773925921e+00 2.60 -3.113648105e+00 -3.644515246e+00 -3.770874013e+00 2.62 -3.059573849e+00 -3.620243831e+00 -3.761893789e+00 2.64 -3.004427972e+00 -3.591829632e+00 -3.747509113e+00 2.66 -2.948423350e+00 -3.559686707e+00 -3.728207365e+00 2.68 -2.891754364e+00 -3.524198883e+00 -3.704441836e+00 2.70 -2.816360977e+00 -3.485721796e+00 -3.676633975e+00 2.72 -2.760041604e+00 -3.444584796e+00 -3.645175480e+00 2.74 -2.703469474e+00 -3.383470925e+00 -3.610430257e+00 2.76 -2.612925304e+00 -3.339005768e+00 -3.572736248e+00 2.78 -2.558329842e+00 -3.292659792e+00 -3.532407137e+00 2.80 -2.503730293e+00 -3.244678070e+00 -3.489733950e+00 2.82 -2.430312124e+00 -3.195286908e+00 -3.372414418e+00 2.84 -2.377175517e+00 -3.144695126e+00 -3.330230685e+00 2.86 -2.324264073e+00 -3.093095245e+00 -3.286190057e+00 2.88 -2.271662617e+00 -3.040664597e+00 -3.240522728e+00 2.90 -2.219447381e+00 -2.987566370e+00 -3.193441850e+00 2.92 -2.167686661e+00 -2.933950571e+00 -3.145144656e+00 2.94 -2.116441428e+00 -2.879954934e+00 -3.095813510e+00 2.96 -2.065765898e+00 -2.825705769e+00 -3.045616885e+00 2.98 -2.015708055e+00 -2.771318749e+00 -2.994710289e+00 3.00 -1.966310147e+00 -2.716899648e+00 -2.943237119e+00 3.02 -1.917609138e+00 -2.662545035e+00 -2.891329471e+00 3.04 -1.869637132e+00 -2.608342913e+00 -2.839108890e+00 3.06 -1.822421763e+00 -2.554373323e+00 -2.786687080e+00 3.08 -1.775986565e+00 -2.500708908e+00 -2.734166563e+00 3.10 -1.730351304e+00 -2.447415434e+00 -2.681641296e+00 3.12 -1.685532299e+00 -2.394552283e+00 -2.629197255e+00 3.14 -1.641542704e+00 -2.342172911e+00 -2.576912972e+00 3.16 -1.580579175e+00 -2.266611777e+00 -2.489232818e+00 3.18 -1.539243625e+00 -2.216625383e+00 -2.439410507e+00 3.20 -1.498708279e+00 -2.167182142e+00 -2.389839172e+00 3.22 -1.458978981e+00 -2.118319541e+00 -2.340577969e+00 3.24 -1.420059430e+00 -2.070070819e+00 -2.291680545e+00 3.26 -1.381951379e+00 -2.022465276e+00 -2.243195424e+00 3.28 -1.344654807e+00 -1.975528566e+00 -2.195166361e+00 3.30 -1.308168090e+00 -1.858045084e+00 -2.147632675e+00 3.32 -1.272488148e+00 -1.816214778e+00 -2.100629560e+00 3.34 -1.237610591e+00 -1.774919018e+00 -2.054188381e+00 3.36 -1.203529848e+00 -1.734181322e+00 -2.008336941e+00 3.38 -1.133318506e+00 -1.694022262e+00 -1.963099747e+00 3.40 -1.102700063e+00 -1.654459675e+00 -1.918498240e+00 3.42 -1.072759416e+00 -1.615508873e+00 -1.874551025e+00 3.44 -1.043492274e+00 -1.577182830e+00 -1.831274078e+00 3.46 -1.014893440e+00 -1.539492365e+00 -1.788680944e+00 3.48 -9.869569045e-01 -1.502446302e+00 -1.746782920e+00 3.50 -9.424103509e-01 -1.466051632e+00 -1.705589225e+00 3.52 -9.166181811e-01 -1.430313656e+00 -1.665107163e+00 3.54 -8.914254550e-01 -1.395236120e+00 -1.625342273e+00 3.56 -8.668256704e-01 -1.360821342e+00 -1.586298465e+00 3.58 -8.428117883e-01 -1.327070332e+00 -1.547978155e+00 3.60 -8.193762948e-01 -1.293982900e+00 -1.510382387e+00 3.62 -7.965112586e-01 -1.261557760e+00 -1.473510944e+00 3.64 -7.688956183e-01 -1.229792628e+00 -1.364684330e+00 3.66 -7.473916030e-01 -1.198684306e+00 -1.332683802e+00 3.68 -7.264209752e-01 -1.168228771e+00 -1.301239366e+00 3.70 -7.059751370e-01 -1.138421249e+00 -1.270354280e+00 3.72 -6.860452759e-01 -1.109256288e+00 -1.240030664e+00 3.74 -6.666224014e-01 -1.080727826e+00 -1.210269588e+00 3.76 -6.476973775e-01 -1.052829252e+00 -1.181071157e+00 3.78 -6.292609530e-01 -1.025553465e+00 -1.152434591e+00 3.80 -6.113037900e-01 -9.988929261e-01 -1.124358301e+00 3.82 -5.938164887e-01 -9.728397116e-01 -1.096839953e+00 3.84 -5.767896113e-01 -9.473855560e-01 -1.069876538e+00 3.86 -5.602137027e-01 -8.860575312e-01 -1.043464428e+00 3.88 -5.440793102e-01 -8.633999166e-01 -1.017599436e+00 3.90 -5.283770014e-01 -8.412428286e-01 -9.922768661e-01 3.92 -5.130973795e-01 -8.195802177e-01 -9.674915642e-01 3.94 -4.982310985e-01 -7.984057405e-01 -9.432379624e-01 3.96 -4.837688758e-01 -7.777127953e-01 -9.195101227e-01 3.98 -4.697015042e-01 -7.574945535e-01 -8.963017761e-01 4.00 -4.560198625e-01 -7.377439904e-01 -8.736063597e-01 4.02 -4.427149249e-01 -7.184539124e-01 -8.514170511e-01 4.04 -4.297777693e-01 -6.996169830e-01 -8.297268004e-01 4.06 -4.171995851e-01 -6.812257465e-01 -8.085283600e-01 4.08 -4.049716795e-01 -6.632726503e-01 -7.878143117e-01 4.10 -3.930854832e-01 -6.457500648e-01 -7.675770927e-01 4.12 -3.815325559e-01 -6.286503027e-01 -7.478090191e-01 4.14 -3.703045900e-01 -6.119656357e-01 -7.285023077e-01 4.16 -3.593934146e-01 -5.956883107e-01 -7.096490966e-01 4.18 -3.487909988e-01 -5.798105646e-01 -6.912414636e-01 4.20 -3.384894538e-01 -5.643246372e-01 -6.732714435e-01 4.22 -3.284810352e-01 -5.492227841e-01 -6.557310444e-01 4.24 -3.187581444e-01 -5.344972872e-01 -6.386122619e-01 4.26 -3.093133303e-01 -5.201404658e-01 -6.219070928e-01 4.28 -3.001392893e-01 -5.061446852e-01 -6.056075475e-01 4.30 -2.912288664e-01 -4.925023656e-01 -5.897056612e-01 4.32 -2.825750549e-01 -4.792059893e-01 -5.741935043e-01 4.34 -2.741709965e-01 -4.662481085e-01 -5.590631920e-01 4.36 -2.660099807e-01 -4.536213505e-01 -5.443068927e-01 4.38 -2.580854442e-01 -4.413184242e-01 -5.299168361e-01 4.40 -2.503909700e-01 -4.293321244e-01 -5.158853198e-01 4.42 -2.429202862e-01 -4.176553368e-01 -5.022047161e-01 4.44 -2.356672650e-01 -4.062810416e-01 -4.888674778e-01 4.46 -2.286259210e-01 -3.952023168e-01 -4.577364083e-01 4.48 -2.217904098e-01 -3.844123417e-01 -4.457651550e-01 4.50 -2.151550260e-01 -3.739043990e-01 -4.340881037e-01 4.52 -2.087142022e-01 -3.636718773e-01 -4.226991105e-01 4.54 -2.024625060e-01 -3.537082729e-01 -4.115920932e-01 4.56 -1.963946390e-01 -3.440071911e-01 -4.007610354e-01 4.58 -1.905054342e-01 -3.345623475e-01 -3.901999908e-01 4.60 -1.847898538e-01 -3.253675693e-01 -3.799030859e-01 4.62 -1.792429875e-01 -3.164167955e-01 -3.698645232e-01 4.64 -1.738600501e-01 -3.077040774e-01 -3.600785839e-01 4.66 -1.686363789e-01 -2.992235791e-01 -3.505396301e-01 4.68 -1.635674319e-01 -2.909695772e-01 -3.412421066e-01 4.70 -1.586487852e-01 -2.829364611e-01 -3.321805429e-01 4.72 -1.538761309e-01 -2.751187320e-01 -3.233495541e-01 4.74 -1.492452746e-01 -2.675110030e-01 -3.147438427e-01 4.76 -1.447521330e-01 -2.601079980e-01 -3.063581993e-01 4.78 -1.403927320e-01 -2.529045515e-01 -2.981875029e-01 4.80 -1.361632036e-01 -2.458956071e-01 -2.902267223e-01 4.82 -1.320597846e-01 -2.390762172e-01 -2.824709157e-01 4.84 -1.280788133e-01 -2.324415412e-01 -2.749152313e-01 4.86 -1.242167279e-01 -2.259868451e-01 -2.675549074e-01 4.88 -1.204700639e-01 -2.197074996e-01 -2.603852718e-01 4.90 -1.168354520e-01 -2.135989792e-01 -2.534017425e-01 4.92 -1.133096158e-01 -2.076568609e-01 -2.465998264e-01 4.94 -1.098893694e-01 -2.018768225e-01 -2.399751194e-01 4.96 -1.065716157e-01 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