# 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 = Co3Mn # 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 2.437841296e+02 nan nan 0.98 2.225112171e+02 nan nan 1.00 2.032668387e+02 nan nan 1.02 1.856562204e+02 nan nan 1.04 1.697253424e+02 nan nan 1.06 1.550860251e+02 nan nan 1.08 1.416838463e+02 2.121919126e+02 nan 1.10 1.295570348e+02 1.954092051e+02 2.220401481e+02 1.12 1.182952901e+02 1.797535463e+02 2.046170677e+02 1.14 1.081663198e+02 1.653053293e+02 1.888777802e+02 1.16 9.874240686e+01 1.521702338e+02 1.740932274e+02 1.18 9.018967745e+01 1.400174739e+02 1.605580122e+02 1.20 8.221062676e+01 1.291381346e+02 1.481597778e+02 1.22 7.507775259e+01 1.188064295e+02 1.368717612e+02 1.24 6.835213704e+01 1.092098914e+02 1.262261117e+02 1.26 6.236062988e+01 1.005054169e+02 1.164732104e+02 1.28 5.668963932e+01 9.243641599e+01 1.074181655e+02 1.30 5.163078133e+01 8.499414550e+01 9.896630128e+01 1.32 4.686200972e+01 7.801598496e+01 9.128018516e+01 1.34 4.245080160e+01 7.178833706e+01 8.401865894e+01 1.36 3.850381865e+01 6.581524442e+01 7.737313492e+01 1.38 3.484764062e+01 6.031682752e+01 7.130194742e+01 1.40 3.141532562e+01 5.521926145e+01 6.552688123e+01 1.42 2.833719212e+01 5.050912050e+01 6.025402454e+01 1.44 2.554544096e+01 4.636260498e+01 5.529637778e+01 1.46 2.288552141e+01 4.246882109e+01 5.091834117e+01 1.48 2.042971156e+01 3.871033650e+01 4.664187628e+01 1.50 1.817672412e+01 3.523660623e+01 4.277008642e+01 1.52 1.621962578e+01 3.210036155e+01 3.909117843e+01 1.54 1.435139219e+01 2.926923359e+01 3.582804798e+01 1.56 1.259977014e+01 2.650318504e+01 3.265533777e+01 1.58 1.101404625e+01 2.397246175e+01 2.975430584e+01 1.60 9.542750187e+00 2.160820634e+01 2.702806672e+01 1.62 8.322839619e+00 1.942403991e+01 2.450292804e+01 1.64 7.078430557e+00 1.740658095e+01 2.230862220e+01 1.66 5.941283014e+00 1.561515029e+01 2.012823998e+01 1.68 4.902950529e+00 1.395928322e+01 1.810973892e+01 1.70 3.955665563e+00 1.235826636e+01 1.624144755e+01 1.72 3.172428088e+00 1.088143487e+01 1.451258453e+01 1.74 2.430711461e+00 9.591997261e+00 1.291318385e+01 1.76 1.723332192e+00 8.330106784e+00 1.165240483e+01 1.78 1.061606322e+00 7.167845073e+00 1.026437731e+01 1.80 4.616045500e-01 6.097976728e+00 8.982092587e+00 1.82 -5.576852377e-02 5.210076400e+00 7.875349715e+00 1.84 -5.488707463e-01 4.296668257e+00 6.775576620e+00 1.86 -9.527769150e-01 3.601926357e+00 5.761275455e+00 1.88 -1.302362501e+00 2.819301059e+00 4.826407847e+00 1.90 -1.653384512e+00 2.101969136e+00 4.042713303e+00 1.92 -1.983291842e+00 1.445189035e+00 3.243573784e+00 1.94 -2.277658194e+00 8.815864506e-01 2.508814250e+00 1.96 -2.539342060e+00 3.298584798e-01 1.833895079e+00 1.98 -2.770984009e+00 -1.733112028e-01 1.214597350e+00 2.00 -2.975023701e+00 -6.314616185e-01 7.222194726e-01 2.02 -3.153715481e+00 -1.047879140e+00 1.964166120e-01 2.04 -3.309142689e+00 -1.425616354e+00 -2.842097929e-01 2.06 -3.385522373e+00 -1.767509401e+00 -7.228603331e-01 2.08 -3.487209176e+00 -2.076193925e+00 -1.122513715e+00 2.10 -3.575327419e+00 -2.289179481e+00 -1.409718860e+00 2.12 -3.651311214e+00 -2.508384960e+00 -1.708652713e+00 2.14 -3.723246716e+00 -2.738992056e+00 -2.015668343e+00 2.16 -3.780954715e+00 -2.944612133e+00 -2.293019032e+00 2.18 -3.825678795e+00 -3.127123428e+00 -2.542843990e+00 2.20 -3.858568054e+00 -3.288272716e+00 -2.767136123e+00 2.22 -3.880684151e+00 -3.429684650e+00 -2.967752302e+00 2.24 -3.855967272e+00 -3.478789315e+00 -3.127902582e+00 2.26 -3.862172144e+00 -3.590690244e+00 -3.287623995e+00 2.28 -3.860120658e+00 -3.686665958e+00 -3.428412229e+00 2.30 -3.850600222e+00 -3.767963277e+00 -3.551675782e+00 2.32 -3.796088697e+00 -3.835741893e+00 -3.658727518e+00 2.34 -3.722069165e+00 -3.891080419e+00 -3.750791191e+00 2.36 -3.700728855e+00 -3.934981999e+00 -3.829007506e+00 2.38 -3.674045307e+00 -3.968379509e+00 -3.894439746e+00 2.40 -3.642576885e+00 -3.992140393e+00 -3.803297448e+00 2.42 -3.606838259e+00 -4.007071153e+00 -3.856211292e+00 2.44 -3.567303596e+00 -3.936415608e+00 -3.898408510e+00 2.46 -3.524409519e+00 -3.941185053e+00 -3.930740552e+00 2.48 -3.478557849e+00 -3.938857012e+00 -3.954000796e+00 2.50 -3.430118149e+00 -3.930057565e+00 -3.968928412e+00 2.52 -3.379430085e+00 -3.842184131e+00 -3.976211964e+00 2.54 -3.326805613e+00 -3.827030888e+00 -3.976492762e+00 2.56 -3.272531013e+00 -3.806704600e+00 -3.970367992e+00 2.58 -3.216868771e+00 -3.781692289e+00 -3.933151836e+00 2.60 -3.160059329e+00 -3.752445986e+00 -3.917487110e+00 2.62 -3.102322712e+00 -3.719385094e+00 -3.896865408e+00 2.64 -3.043860030e+00 -3.682898580e+00 -3.871741529e+00 2.66 -2.984854884e+00 -3.643347030e+00 -3.842538460e+00 2.68 -2.925474659e+00 -3.601064558e+00 -3.809649471e+00 2.70 -2.846172994e+00 -3.556360590e+00 -3.773440064e+00 2.72 -2.787716135e+00 -3.509521533e+00 -3.734249797e+00 2.74 -2.729224152e+00 -3.442089666e+00 -3.692393987e+00 2.76 -2.635649550e+00 -3.392905543e+00 -3.648165305e+00 2.78 -2.579571285e+00 -3.342252018e+00 -3.601835261e+00 2.80 -2.523650745e+00 -3.290342234e+00 -3.553655593e+00 2.82 -2.447557585e+00 -3.237372854e+00 -3.426953163e+00 2.84 -2.393446048e+00 -3.183525186e+00 -3.380335009e+00 2.86 -2.339677499e+00 -3.128966224e+00 -3.332244882e+00 2.88 -2.286325209e+00 -3.073849619e+00 -3.282883624e+00 2.90 -2.233454823e+00 -3.018316598e+00 -3.232437089e+00 2.92 -2.181124945e+00 -2.962496807e+00 -3.181077131e+00 2.94 -2.129387676e+00 -2.906509113e+00 -3.128962523e+00 2.96 -2.078289120e+00 -2.850462340e+00 -3.076239816e+00 2.98 -2.027869856e+00 -2.794455967e+00 -3.023044149e+00 3.00 -1.978165367e+00 -2.738580779e+00 -2.969500006e+00 3.02 -1.929206450e+00 -2.682919465e+00 -2.915721917e+00 3.04 -1.881019590e+00 -2.627547194e+00 -2.861815130e+00 3.06 -1.833627307e+00 -2.572532136e+00 -2.807876222e+00 3.08 -1.787048486e+00 -2.517935961e+00 -2.753993689e+00 3.10 -1.741298671e+00 -2.463814298e+00 -2.700248483e+00 3.12 -1.696390350e+00 -2.410217169e+00 -2.646714526e+00 3.14 -1.652333213e+00 -2.357189391e+00 -2.593459185e+00 3.16 -1.590211269e+00 -2.279633230e+00 -2.502697475e+00 3.18 -1.548886618e+00 -2.229202479e+00 -2.452199574e+00 3.20 -1.508373927e+00 -2.179376468e+00 -2.402039749e+00 3.22 -1.468676776e+00 -2.130186496e+00 -2.352269036e+00 3.24 -1.429796840e+00 -2.081660109e+00 -2.302933593e+00 3.26 -1.391734062e+00 -2.033821380e+00 -2.254075026e+00 3.28 -1.354486811e+00 -1.986691167e+00 -2.205730718e+00 3.30 -1.318052029e+00 -1.864772588e+00 -2.157934112e+00 3.32 -1.282425371e+00 -1.822976957e+00 -2.110714998e+00 3.34 -1.247601332e+00 -1.781738200e+00 -2.064099764e+00 3.36 -1.213573360e+00 -1.741076571e+00 -2.018111645e+00 3.38 -1.140464631e+00 -1.701009673e+00 -1.972770947e+00 3.40 -1.110004571e+00 -1.661552647e+00 -1.928095261e+00 3.42 -1.080215827e+00 -1.622718362e+00 -1.884099663e+00 3.44 -1.051093637e+00 -1.584517583e+00 -1.840796898e+00 3.46 -1.022632420e+00 -1.546959135e+00 -1.798197557e+00 3.48 -9.948258567e-01 -1.510050045e+00 -1.756310240e+00 3.50 -9.497376784e-01 -1.473795693e+00 -1.715141706e+00 3.52 -9.240828734e-01 -1.438199931e+00 -1.674697019e+00 3.54 -8.990186423e-01 -1.403265217e+00 -1.634979682e+00 3.56 -8.745384276e-01 -1.368992720e+00 -1.595991758e+00 3.58 -8.506351806e-01 -1.335382432e+00 -1.557733991e+00 3.60 -8.273014179e-01 -1.302433266e+00 -1.520205909e+00 3.62 -8.045292744e-01 -1.270143147e+00 -1.483405934e+00 3.64 -7.769977864e-01 -1.238509102e+00 -1.370314513e+00 3.66 -7.555693083e-01 -1.207527340e+00 -1.338537701e+00 3.68 -7.346657514e-01 -1.177193324e+00 -1.307313129e+00 3.70 -7.142786878e-01 -1.147501846e+00 -1.276643256e+00 3.72 -6.943994926e-01 -1.118447090e+00 -1.246529504e+00 3.74 -6.750193776e-01 -1.090022690e+00 -1.216972336e+00 3.76 -6.561294221e-01 -1.062221793e+00 -1.187971338e+00 3.78 -6.377206006e-01 -1.035037105e+00 -1.159525287e+00 3.80 -6.197838091e-01 -1.008460944e+00 -1.131632222e+00 3.82 -6.023098887e-01 -9.824852844e-01 -1.104289502e+00 3.84 -5.852896470e-01 -9.571017979e-01 -1.077493870e+00 3.86 -5.687138781e-01 -8.935809896e-01 -1.051241504e+00 3.88 -5.525733810e-01 -8.710533317e-01 -1.025528070e+00 3.90 -5.368589755e-01 -8.490172931e-01 -1.000348772e+00 3.92 -5.215615174e-01 -8.274669144e-01 -9.756983944e-01 3.94 -5.066719122e-01 -8.063959655e-01 -9.515713430e-01 3.96 -4.921811272e-01 -7.857979776e-01 -9.279616870e-01 3.98 -4.780802024e-01 -7.656662730e-01 -9.048631932e-01 4.00 -4.643602610e-01 -7.459939928e-01 -8.822693607e-01 4.02 -4.510125176e-01 -7.267741227e-01 -8.601734522e-01 4.04 -4.380282866e-01 -7.079995167e-01 -8.385685232e-01 4.06 -4.253989891e-01 -6.896629191e-01 -8.174474499e-01 4.08 -4.131161592e-01 -6.717569852e-01 -7.968029535e-01 4.10 -4.011714494e-01 -6.542742998e-01 -7.766276248e-01 4.12 -3.895566353e-01 -6.372073950e-01 -7.569139452e-01 4.14 -3.782636200e-01 -6.205487659e-01 -7.376543072e-01 4.16 -3.672844373e-01 -6.042908858e-01 -7.188410333e-01 4.18 -3.566112547e-01 -5.884262195e-01 -7.004663930e-01 4.20 -3.462363762e-01 -5.729472359e-01 -6.825226188e-01 4.22 -3.361522437e-01 -5.578464195e-01 -6.650019211e-01 4.24 -3.263514391e-01 -5.431162811e-01 -6.478965016e-01 4.26 -3.168266852e-01 -5.287493669e-01 -6.311985659e-01 4.28 -3.075708466e-01 -5.147382678e-01 -6.149003350e-01 4.30 -2.985769300e-01 -5.010756271e-01 -5.989940557e-01 4.32 -2.898380845e-01 -4.877541476e-01 -5.834720102e-01 4.34 -2.813476015e-01 -4.747665983e-01 -5.683265251e-01 4.36 -2.730989144e-01 -4.621058204e-01 -5.535499792e-01 4.38 -2.650855978e-01 -4.497647323e-01 -5.391348110e-01 4.40 -2.573013668e-01 -4.377363346e-01 -5.250735251e-01 4.42 -2.497400763e-01 -4.260137141e-01 -5.113586983e-01 4.44 -2.423957193e-01 -4.145900477e-01 -4.979829849e-01 4.46 -2.352624260e-01 -4.034586057e-01 -4.656856936e-01 4.48 -2.283344623e-01 -3.926127545e-01 -4.536996618e-01 4.50 -2.216062283e-01 -3.820459592e-01 -4.420034049e-01 4.52 -2.150722563e-01 -3.717517857e-01 -4.305909779e-01 4.54 -2.087272094e-01 -3.617239023e-01 -4.194564936e-01 4.56 -2.025658796e-01 -3.519560818e-01 -4.085941269e-01 4.58 -1.965831856e-01 -3.424422019e-01 -3.979981183e-01 4.60 -1.907741715e-01 -3.331762466e-01 -3.876627771e-01 4.62 -1.851340037e-01 -3.241523067e-01 -3.775824841e-01 4.64 -1.796579699e-01 -3.153645805e-01 -3.677516943e-01 4.66 -1.743414764e-01 -3.068073739e-01 -3.581649391e-01 4.68 -1.691800460e-01 -2.984751003e-01 -3.488168279e-01 4.70 -1.641693159e-01 -2.903622808e-01 -3.397020503e-01 4.72 -1.593050358e-01 -2.824635438e-01 -3.308153770e-01 4.74 -1.545830651e-01 -2.747736244e-01 -3.221516611e-01 4.76 -1.499993713e-01 -2.672873644e-01 -3.137058393e-01 4.78 -1.455500273e-01 -2.599997109e-01 -3.054729324e-01 4.80 -1.412312098e-01 -2.529057162e-01 -2.974480459e-01 4.82 -1.370391962e-01 -2.460005363e-01 -2.896263705e-01 4.84 -1.329703636e-01 -2.392794304e-01 -2.820031823e-01 4.86 -1.290211854e-01 -2.327377599e-01 -2.745738430e-01 4.88 -1.251882302e-01 -2.263709866e-01 -2.673337998e-01 4.90 -1.214681589e-01 -2.201746724e-01 -2.602785852e-01 4.92 -1.178577229e-01 -2.141444774e-01 -2.534038166e-01 4.94 -1.143537622e-01 -2.082761589e-01 -2.467051966e-01 4.96 -1.109532028e-01 -2.025655699e-01 -2.401785116e-01 4.98 -1.076530552e-01 -1.970086579e-01 -2.338196319e-01 5.00 -1.044504121e-01 -1.916014633e-01 -2.276245111e-01 5.02 -1.013424462e-01 -1.863401181e-01 -2.215891848e-01 5.04 -9.832640897e-02 -1.812208442e-01 -2.157097705e-01 5.06 -9.539962785e-02 -1.762399523e-01 -2.099824665e-01 5.08 -9.255950492e-02 -1.713938399e-01 -2.044035511e-01 5.10 -8.980351484e-02 -1.666789902e-01 -1.989693814e-01 5.12 -8.712920303e-02 -1.620919703e-01 -1.936763928e-01 5.14 -8.453418390e-02 -1.576294300e-01 -1.885210978e-01 5.16 -6.197933758e-02 -1.532880996e-01 -1.835000846e-01 5.18 -6.019950664e-02 -1.490647891e-01 -1.786100168e-01 5.20 -5.847031763e-02 -1.449563864e-01 -1.738476317e-01 5.22 -5.679036048e-02 -1.409598556e-01 -1.692097392e-01 5.24 -5.515826246e-02 -1.370722354e-01 -1.646932213e-01 5.26 -5.357268735e-02 -1.332906383e-01 -1.602950301e-01 5.28 -5.203233453e-02 -1.296122480e-01 -1.560121873e-01 5.30 -5.053593816e-02 -1.260343188e-01 -1.518417826e-01 5.32 -4.908226635e-02 -1.225541738e-01 -1.477809731e-01 5.34 -4.767012031e-02 -1.191692033e-01 -1.438269813e-01 5.36 -4.629833361e-02 -1.158768635e-01 -1.399770947e-01 5.38 -4.496577132e-02 -1.126746751e-01 -1.362286641e-01 5.40 -4.367132925e-02 -1.095602216e-01 -1.325791028e-01 5.42 -4.241393323e-02 -1.065311485e-01 -1.290258852e-01 5.44 -4.119253832e-02 -1.035851612e-01 -1.255665456e-01 5.46 -4.000612809e-02 -8.146578477e-02 -1.221986771e-01 5.48 -3.885371389e-02 -7.927995377e-02 -1.189199307e-01 5.50 -3.773433418e-02 -7.715200897e-02 -1.157280135e-01 5.52 -3.664705379e-02 -7.508045880e-02 -1.126206882e-01 5.54 -3.559096328e-02 -7.306384788e-02 -1.095957718e-01 5.56 -3.456517829e-02 -7.110075620e-02 -1.066511343e-01 5.58 -3.356883884e-02 -6.918979845e-02 -1.037846977e-01 5.60 -3.260110874e-02 -6.732962324e-02 -1.009944349e-01 5.62 -3.166117498e-02 -6.551891239e-02 -9.827836859e-02 5.64 -1.272038482e-02 -6.375638022e-02 -9.563457032e-02 5.66 -1.237745274e-02 -6.204077283e-02 -9.306115925e-02 5.68 -1.204367626e-02 -6.037086744e-02 -9.055630117e-02 5.70 -1.171881581e-02 -5.874547168e-02 -8.811820752e-02 5.72 -1.140263780e-02 -5.716342290e-02 -8.574513434e-02 5.74 -1.109491454e-02 -5.562358753e-02 -8.343538129e-02 5.76 -1.079542404e-02 -5.412486042e-02 -8.118729063e-02 5.78 -1.050394995e-02 -5.266616421e-02 -7.899924631e-02 5.80 -1.022028135e-02 -5.124644865e-02 -7.686967297e-02 5.82 -9.944212707e-03 -4.986469002e-02 -7.479703503e-02 5.84 -9.675543693e-03 -4.851989051e-02 -7.277983577e-02 5.86 -9.414079082e-03 -4.721107762e-02 -7.081661643e-02 5.88 -9.159628631e-03 -4.593730355e-02 -6.890595532e-02 5.90 -8.912006958e-03 -4.469764464e-02 -6.704646695e-02 5.92 -8.671033432e-03 -4.349120079e-02 -6.523680118e-02 5.94 -8.436532054e-03 -4.231709492e-02 -6.347564238e-02 5.96 -8.208331349e-03 -4.117447241e-02 -6.176170861e-02 5.98 -7.986264257e-03 -4.006250054e-02 -6.009375082e-02 6.00 -7.770168027e-03 -3.898036803e-02 -5.847055204e-02