# 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 = MnNi3 # 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 2.245134177e+02 nan nan 0.98 2.048910305e+02 nan nan 1.00 1.871508063e+02 nan nan 1.02 1.709054774e+02 nan nan 1.04 1.562226006e+02 nan nan 1.06 1.427179235e+02 nan nan 1.08 1.303468690e+02 1.953878847e+02 nan 1.10 1.191706133e+02 1.799303457e+02 2.044789393e+02 1.12 1.087688860e+02 1.654806636e+02 1.883946098e+02 1.14 9.943368667e+01 1.521368159e+02 1.738975780e+02 1.16 9.073087734e+01 1.400225821e+02 1.602438649e+02 1.18 8.284057140e+01 1.288059157e+02 1.477530711e+02 1.20 7.546318390e+01 1.188003967e+02 1.363206002e+02 1.22 6.888932286e+01 1.092610755e+02 1.259288293e+02 1.24 6.266903439e+01 1.003913209e+02 1.161010058e+02 1.26 5.714739936e+01 9.236258693e+01 1.071059766e+02 1.28 5.190206035e+01 8.491541429e+01 9.874919101e+01 1.30 4.724115380e+01 7.804729640e+01 9.093915433e+01 1.32 4.283124133e+01 7.159448584e+01 8.385154976e+01 1.34 3.874891370e+01 6.586093616e+01 7.713743051e+01 1.36 3.510973279e+01 6.033534650e+01 7.100153562e+01 1.38 3.173403745e+01 5.525130715e+01 6.540516036e+01 1.40 2.855656888e+01 5.053606473e+01 6.006353918e+01 1.42 2.571597402e+01 4.617949121e+01 5.519534947e+01 1.44 2.314346997e+01 4.236871280e+01 5.060945949e+01 1.46 2.068128612e+01 3.878337069e+01 4.658485121e+01 1.48 1.840738794e+01 3.530366872e+01 4.262704973e+01 1.50 1.632176414e+01 3.208796640e+01 3.905462905e+01 1.52 1.452259290e+01 2.919364314e+01 3.564942430e+01 1.54 1.279782455e+01 2.658940785e+01 3.264617286e+01 1.56 1.117608559e+01 2.402740272e+01 2.970850132e+01 1.58 9.710663678e+00 2.168670356e+01 2.702716573e+01 1.60 8.349221933e+00 1.949732772e+01 2.450314448e+01 1.62 7.235826113e+00 1.747511213e+01 2.216565698e+01 1.64 6.083931614e+00 1.560763446e+01 2.015148700e+01 1.66 5.031852258e+00 1.395807917e+01 1.813227203e+01 1.68 4.071728212e+00 1.243358901e+01 1.626334442e+01 1.70 3.196331534e+00 1.095126172e+01 1.453386747e+01 1.72 2.483502129e+00 9.584330706e+00 1.293383192e+01 1.74 1.803537389e+00 8.399796174e+00 1.145398625e+01 1.76 1.152583177e+00 7.231884680e+00 1.031319165e+01 1.78 5.416167617e-01 6.156614471e+00 9.027477560e+00 1.80 -1.179827296e-02 5.167258668e+00 7.840114626e+00 1.82 -4.853269638e-01 4.357787208e+00 6.824733548e+00 1.84 -9.393032245e-01 3.513048715e+00 5.806413537e+00 1.86 -1.305144403e+00 2.887806352e+00 4.867649798e+00 1.88 -1.620608710e+00 2.163521165e+00 4.002822375e+00 1.90 -1.941757937e+00 1.500119838e+00 3.287208349e+00 1.92 -2.244326336e+00 8.931811615e-01 2.548049914e+00 1.94 -2.513686538e+00 3.772302050e-01 1.868869261e+00 1.96 -2.752511576e+00 -1.320672020e-01 1.245437479e+00 1.98 -2.963270941e+00 -5.960618668e-01 6.738243483e-01 2.00 -3.148246465e+00 -1.018055963e+00 2.288382981e-01 2.02 -3.309546877e+00 -1.401116089e+00 -2.562991228e-01 2.04 -3.449121165e+00 -1.748090859e+00 -6.993025173e-01 2.06 -3.507900247e+00 -2.061627078e+00 -1.103157188e+00 2.08 -3.596181521e+00 -2.344184620e+00 -1.470641626e+00 2.10 -3.671799102e+00 -2.530467177e+00 -1.725044596e+00 2.12 -3.736593409e+00 -2.726208979e+00 -1.995135361e+00 2.14 -3.798952014e+00 -2.936677393e+00 -2.277057706e+00 2.16 -3.847993429e+00 -3.123790552e+00 -2.531258028e+00 2.18 -3.884885346e+00 -3.289305704e+00 -2.759736424e+00 2.20 -3.910706910e+00 -3.434857291e+00 -2.964356383e+00 2.22 -3.926455308e+00 -3.561965659e+00 -3.146854356e+00 2.24 -3.894408407e+00 -3.594758227e+00 -3.289526895e+00 2.26 -3.895560683e+00 -3.694837573e+00 -3.433954013e+00 2.28 -3.888987749e+00 -3.780007008e+00 -3.560686446e+00 2.30 -3.875430713e+00 -3.851436102e+00 -3.671042476e+00 2.32 -3.815225659e+00 -3.910212855e+00 -3.766251019e+00 2.34 -3.736719366e+00 -3.957349346e+00 -3.847457720e+00 2.36 -3.712735330e+00 -3.993786979e+00 -3.915730607e+00 2.38 -3.683733442e+00 -4.020401348e+00 -3.972065346e+00 2.40 -3.650241828e+00 -4.038006751e+00 -3.866605923e+00 2.42 -3.612747396e+00 -4.047360391e+00 -3.912240642e+00 2.44 -3.571698836e+00 -3.968506344e+00 -3.947814800e+00 2.46 -3.527509399e+00 -3.968879921e+00 -3.974129644e+00 2.48 -3.480559478e+00 -3.962600086e+00 -3.991931902e+00 2.50 -3.431199003e+00 -3.950256671e+00 -4.001917411e+00 2.52 -3.379749653e+00 -3.856188253e+00 -4.004734479e+00 2.54 -3.326506924e+00 -3.838357485e+00 -4.000987031e+00 2.56 -3.271742037e+00 -3.815661689e+00 -3.991237540e+00 2.58 -3.215703713e+00 -3.788561438e+00 -3.949682115e+00 2.60 -3.158619822e+00 -3.757484312e+00 -3.931157434e+00 2.62 -3.100698910e+00 -3.722827116e+00 -3.907987247e+00 2.64 -3.042131625e+00 -3.684957944e+00 -3.880600667e+00 2.66 -2.983092029e+00 -3.644218104e+00 -3.849396868e+00 2.68 -2.923738831e+00 -3.600923920e+00 -3.814747046e+00 2.70 -2.843445291e+00 -3.555368403e+00 -3.776996249e+00 2.72 -2.785164831e+00 -3.507822823e+00 -3.736465094e+00 2.74 -2.726887185e+00 -3.439007673e+00 -3.693451358e+00 2.76 -2.632641608e+00 -3.389402938e+00 -3.648231478e+00 2.78 -2.576877460e+00 -3.338433756e+00 -3.601061948e+00 2.80 -2.521291550e+00 -3.286302421e+00 -3.552180623e+00 2.82 -2.444448181e+00 -3.233195629e+00 -3.421765200e+00 2.84 -2.390748194e+00 -3.179285534e+00 -3.374820417e+00 2.86 -2.337398417e+00 -3.124730727e+00 -3.326500712e+00 2.88 -2.284469120e+00 -3.069677160e+00 -3.276996952e+00 2.90 -2.232023282e+00 -3.014259003e+00 -3.226485807e+00 2.92 -2.180117145e+00 -2.958599446e+00 -3.175130682e+00 2.94 -2.128800731e+00 -2.902811454e+00 -3.123082581e+00 2.96 -2.078118319e+00 -2.846998462e+00 -3.070480920e+00 2.98 -2.028108892e+00 -2.791255034e+00 -3.017454293e+00 3.00 -1.978806549e+00 -2.735667477e+00 -2.964121176e+00 3.02 -1.930240896e+00 -2.680314410e+00 -2.910590604e+00 3.04 -1.882437399e+00 -2.625267302e+00 -2.856962793e+00 3.06 -1.835417718e+00 -2.570590973e+00 -2.803329726e+00 3.08 -1.789200018e+00 -2.516344057e+00 -2.749775702e+00 3.10 -1.743799255e+00 -2.462579446e+00 -2.696377852e+00 3.12 -1.699227444e+00 -2.409344692e+00 -2.643206620e+00 3.14 -1.655493906e+00 -2.356682393e+00 -2.590326215e+00 3.16 -1.592868247e+00 -2.278462153e+00 -2.498320530e+00 3.18 -1.551872637e+00 -2.228437737e+00 -2.448277672e+00 3.20 -1.511674407e+00 -2.179014449e+00 -2.398575127e+00 3.22 -1.472277114e+00 -2.130222214e+00 -2.349261873e+00 3.24 -1.433682470e+00 -2.082087368e+00 -2.300382221e+00 3.26 -1.395890507e+00 -2.034632923e+00 -2.251976133e+00 3.28 -1.358899730e+00 -1.987878816e+00 -2.204079527e+00 3.30 -1.322707260e+00 -1.863232324e+00 -2.156724552e+00 3.32 -1.287308966e+00 -1.821910401e+00 -2.109939856e+00 3.34 -1.252699587e+00 -1.781131366e+00 -2.063750830e+00 3.36 -1.218872844e+00 -1.740915072e+00 -2.018179839e+00 3.38 -1.143788570e+00 -1.701278810e+00 -1.973246438e+00 3.40 -1.113583465e+00 -1.662237491e+00 -1.928967579e+00 3.42 -1.084034645e+00 -1.623803826e+00 -1.885357796e+00 3.44 -1.055137742e+00 -1.585988489e+00 -1.842429383e+00 3.46 -1.026887583e+00 -1.548800271e+00 -1.800192564e+00 3.48 -9.992782637e-01 -1.512246222e+00 -1.758655648e+00 3.50 -9.539087216e-01 -1.476331788e+00 -1.717825170e+00 3.52 -9.284411325e-01 -1.441060936e+00 -1.677706035e+00 3.54 -9.035510921e-01 -1.406436269e+00 -1.638301639e+00 3.56 -8.792324811e-01 -1.372459139e+00 -1.599613993e+00 3.58 -8.554786881e-01 -1.339129750e+00 -1.561643832e+00 3.60 -8.322826656e-01 -1.306447250e+00 -1.524390719e+00 3.62 -8.096369808e-01 -1.274409826e+00 -1.487853144e+00 3.64 -7.822210978e-01 -1.243014781e+00 -1.371872064e+00 3.66 -7.608977939e-01 -1.212258620e+00 -1.340439445e+00 3.68 -7.400893971e-01 -1.182137115e+00 -1.309543787e+00 3.70 -7.197878889e-01 -1.152645377e+00 -1.279187788e+00 3.72 -6.999850468e-01 -1.123777919e+00 -1.249373128e+00 3.74 -6.806724767e-01 -1.095528713e+00 -1.220100550e+00 3.76 -6.618416435e-01 -1.067891248e+00 -1.191369934e+00 3.78 -6.434838986e-01 -1.040858576e+00 -1.163180365e+00 3.80 -6.255905055e-01 -1.014423364e+00 -1.135530201e+00 3.82 -6.081526634e-01 -9.885779365e-01 -1.108417130e+00 3.84 -5.911615284e-01 -9.633143163e-01 -1.081838231e+00 3.86 -5.746082337e-01 -8.982478113e-01 -1.055790024e+00 3.88 -5.584839068e-01 -8.758735130e-01 -1.030268525e+00 3.90 -5.427796868e-01 -8.539800401e-01 -1.005269284e+00 3.92 -5.274867386e-01 -8.325618005e-01 -9.807874378e-01 3.94 -5.125962669e-01 -8.116129277e-01 -9.568177449e-01 3.96 -4.980995284e-01 -7.911273124e-01 -9.333546256e-01 3.98 -4.839878429e-01 -7.710986316e-01 -9.103921971e-01 4.00 -4.702526033e-01 -7.515203759e-01 -8.879243063e-01 4.02 -4.568852848e-01 -7.323858744e-01 -8.659445611e-01 4.04 -4.438774528e-01 -7.136883185e-01 -8.444463586e-01 4.06 -4.312207702e-01 -6.954207835e-01 -8.234229120e-01 4.08 -4.189070038e-01 -6.775762486e-01 -8.028672754e-01 4.10 -4.069280298e-01 -6.601476156e-01 -7.827723669e-01 4.12 -3.952758389e-01 -6.431277263e-01 -7.631309897e-01 4.14 -3.839425407e-01 -6.265093780e-01 -7.439358527e-01 4.16 -3.729203670e-01 -6.102853387e-01 -7.251795879e-01 4.18 -3.622016755e-01 -5.944483603e-01 -7.068547683e-01 4.20 -3.517789520e-01 -5.789911909e-01 -6.889539233e-01 4.22 -3.416448132e-01 -5.639065869e-01 -6.714695532e-01 4.24 -3.317920076e-01 -5.491873227e-01 -6.543941429e-01 4.26 -3.222134177e-01 -5.348262008e-01 -6.377201740e-01 4.28 -3.129020605e-01 -5.208160604e-01 -6.214401364e-01 4.30 -3.038510884e-01 -5.071497857e-01 -6.055465387e-01 4.32 -2.950537896e-01 -4.938203125e-01 -5.900319176e-01 4.34 -2.865035879e-01 -4.808206357e-01 -5.748888473e-01 4.36 -2.781940432e-01 -4.681438145e-01 -5.601099467e-01 4.38 -2.701188504e-01 -4.557829785e-01 -5.456878875e-01 4.40 -2.622718392e-01 -4.437313320e-01 -5.316154002e-01 4.42 -2.546469731e-01 -4.319821583e-01 -5.178852806e-01 4.44 -2.472383488e-01 -4.205288243e-01 -5.044903951e-01 4.46 -2.400401948e-01 -4.093647829e-01 -4.713458130e-01 4.48 -2.330468702e-01 -3.984835769e-01 -4.593564499e-01 4.50 -2.262528633e-01 -3.878788411e-01 -4.476530266e-01 4.52 -2.196527903e-01 -3.775443045e-01 -4.362297915e-01 4.54 -2.132413935e-01 -3.674737928e-01 -4.250810445e-01 4.56 -2.070135398e-01 -3.576612294e-01 -4.142011418e-01 4.58 -2.009642188e-01 -3.481006373e-01 -4.035844988e-01 4.60 -1.950885410e-01 -3.387861396e-01 -3.932255938e-01 4.62 -1.893817362e-01 -3.297119609e-01 -3.831189708e-01 4.64 -1.838391511e-01 -3.208724276e-01 -3.732592424e-01 4.66 -1.784562479e-01 -3.122619682e-01 -3.636410915e-01 4.68 -1.732286018e-01 -3.038751141e-01 -3.542592743e-01 4.70 -1.681518991e-01 -2.957064989e-01 -3.451086209e-01 4.72 -1.632219356e-01 -2.877508588e-01 -3.361840380e-01 4.74 -1.584346140e-01 -2.800030321e-01 -3.274805093e-01 4.76 -1.537859418e-01 -2.724579590e-01 -3.189930970e-01 4.78 -1.492720297e-01 -2.651106807e-01 -3.107169427e-01 4.80 -1.448890892e-01 -2.579563393e-01 -3.026472679e-01 4.82 -1.406334306e-01 -2.509901765e-01 -2.947793748e-01 4.84 -1.365014607e-01 -2.442075334e-01 -2.871086463e-01 4.86 -1.324896812e-01 -2.376038487e-01 -2.796305468e-01 4.88 -1.285946862e-01 -2.311746588e-01 -2.723406216e-01 4.90 -1.248131605e-01 -2.249155958e-01 -2.652344977e-01 4.92 -1.211418773e-01 -2.188223869e-01 -2.583078827e-01 4.94 -1.175776964e-01 -2.128908529e-01 -2.515565655e-01 4.96 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