# 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 = CrNi3 # 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 2.465670390e+02 nan nan 0.98 2.249500265e+02 nan nan 1.00 2.054061064e+02 nan nan 1.02 1.875179016e+02 nan nan 1.04 1.713478894e+02 nan nan 1.06 1.564817913e+02 nan nan 1.08 1.428784213e+02 2.144578093e+02 nan 1.10 1.305707090e+02 1.974240272e+02 2.244810649e+02 1.12 1.191355299e+02 1.815190594e+02 2.067732784e+02 1.14 1.088650859e+02 1.668386806e+02 1.907984894e+02 1.16 9.929892732e+01 1.535047960e+02 1.757742975e+02 1.18 9.062770640e+01 1.411652883e+02 1.620274010e+02 1.20 8.252896552e+01 1.301422280e+02 1.494422743e+02 1.22 7.530426022e+01 1.196538133e+02 1.379967012e+02 1.24 6.848008218e+01 1.099086366e+02 1.271881519e+02 1.26 6.241755457e+01 1.010810539e+02 1.172932024e+02 1.28 5.666558662e+01 9.289700988e+01 1.081052271e+02 1.30 5.154406755e+01 8.535037982e+01 9.952502120e+01 1.32 4.671300109e+01 7.826873864e+01 9.173280181e+01 1.34 4.224221000e+01 7.196544357e+01 8.436194810e+01 1.36 3.824769727e+01 6.590547395e+01 7.762285807e+01 1.38 3.455003969e+01 6.032998199e+01 7.147350012e+01 1.40 3.107486602e+01 5.516134279e+01 6.561457456e+01 1.42 2.796482797e+01 5.038708229e+01 6.027164904e+01 1.44 2.514959959e+01 4.620030767e+01 5.524447843e+01 1.46 2.246143855e+01 4.226520904e+01 5.082155528e+01 1.48 1.997822857e+01 3.845699088e+01 4.648628000e+01 1.50 1.770146478e+01 3.493868819e+01 4.256873928e+01 1.52 1.573444074e+01 3.176888144e+01 3.884125507e+01 1.54 1.384967287e+01 2.891380129e+01 3.554668411e+01 1.56 1.208207307e+01 2.611430813e+01 3.233351336e+01 1.58 1.048450172e+01 2.355599510e+01 2.939934946e+01 1.60 9.001998279e+00 2.116534553e+01 2.664045169e+01 1.62 7.783347810e+00 1.895797206e+01 2.408623655e+01 1.64 6.530820078e+00 1.692022066e+01 2.187835170e+01 1.66 5.387403742e+00 1.511722534e+01 1.967401357e+01 1.68 4.344477624e+00 1.345163061e+01 1.763443141e+01 1.70 3.394114856e+00 1.183656459e+01 1.574769470e+01 1.72 2.613513414e+00 1.034782643e+01 1.400280313e+01 1.74 1.877183583e+00 9.054374632e+00 1.238958992e+01 1.76 1.170595607e+00 7.783791356e+00 1.113549248e+01 1.78 5.096157716e-01 6.614519286e+00 9.735887646e+00 1.80 -8.865704907e-02 5.539176677e+00 8.443881296e+00 1.82 -6.013106699e-01 4.655320500e+00 7.335437218e+00 1.84 -1.091187948e+00 3.738416221e+00 6.228657558e+00 1.86 -1.488946285e+00 3.053594318e+00 5.208819872e+00 1.88 -1.827656035e+00 2.268773565e+00 4.269760367e+00 1.90 -2.171212709e+00 1.550349775e+00 3.489622548e+00 1.92 -2.496415826e+00 8.934813164e-01 2.688102232e+00 1.94 -2.785537086e+00 3.337369414e-01 1.952031290e+00 1.96 -3.041497468e+00 -2.165866799e-01 1.276776072e+00 1.98 -3.266994708e+00 -7.175836142e-01 6.580309572e-01 2.00 -3.464520758e+00 -1.172866306e+00 1.731750859e-01 2.02 -3.636377780e+00 -1.585788746e+00 -3.510144215e-01 2.04 -3.784692833e+00 -1.959465801e+00 -8.293229638e-01 2.06 -3.850560758e+00 -2.296790981e+00 -1.265016895e+00 2.08 -3.942809307e+00 -2.600452779e+00 -1.661135632e+00 2.10 -4.022802692e+00 -2.802536068e+00 -1.937794806e+00 2.12 -4.090724759e+00 -3.013370247e+00 -2.229629920e+00 2.14 -4.155081875e+00 -3.238474112e+00 -2.532379178e+00 2.16 -4.205101813e+00 -3.438263425e+00 -2.805033955e+00 2.18 -4.242052740e+00 -3.614654838e+00 -3.049778021e+00 2.20 -4.267106164e+00 -3.769430512e+00 -3.268645442e+00 2.22 -4.281344152e+00 -3.904247684e+00 -3.463531094e+00 2.24 -4.245688992e+00 -3.940493509e+00 -3.616161892e+00 2.26 -4.244198984e+00 -4.045872538e+00 -3.769750615e+00 2.28 -4.234446083e+00 -4.135158209e+00 -3.904190228e+00 2.30 -4.217232592e+00 -4.209622765e+00 -4.020917331e+00 2.32 -4.152950703e+00 -4.270449278e+00 -4.121270704e+00 2.34 -4.064935586e+00 -4.318737856e+00 -4.206498002e+00 2.36 -4.036601160e+00 -4.355511382e+00 -4.277761954e+00 2.38 -4.002936333e+00 -4.381720852e+00 -4.336146130e+00 2.40 -3.964511303e+00 -4.398250330e+00 -4.225635177e+00 2.42 -3.921851431e+00 -4.405921539e+00 -4.272181533e+00 2.44 -3.875440526e+00 -4.321459685e+00 -4.307912877e+00 2.46 -3.825723877e+00 -4.319379746e+00 -4.333698743e+00 2.48 -3.773111075e+00 -4.310184849e+00 -4.350349162e+00 2.50 -3.717978626e+00 -4.294513449e+00 -4.358618633e+00 2.52 -3.660672373e+00 -4.193588688e+00 -4.359209809e+00 2.54 -3.601509746e+00 -4.171979705e+00 -4.352776944e+00 2.56 -3.540781848e+00 -4.145198705e+00 -4.339929098e+00 2.58 -3.478755391e+00 -4.113742827e+00 -4.293924819e+00 2.60 -3.415674494e+00 -4.078073329e+00 -4.271676512e+00 2.62 -3.351762349e+00 -4.038618020e+00 -4.244484038e+00 2.64 -3.287222769e+00 -3.995773504e+00 -4.212810964e+00 2.66 -3.222241630e+00 -3.949907294e+00 -4.177088280e+00 2.68 -3.156988199e+00 -3.901359772e+00 -4.137716541e+00 2.70 -3.070845152e+00 -3.850446018e+00 -4.095067867e+00 2.72 -3.006774269e+00 -3.797457525e+00 -4.049487820e+00 2.74 -2.942772675e+00 -3.722407306e+00 -4.001297144e+00 2.76 -2.839624093e+00 -3.667296380e+00 -3.950793402e+00 2.78 -2.778517320e+00 -3.610783532e+00 -3.898252501e+00 2.80 -2.717656488e+00 -3.553085390e+00 -3.843930118e+00 2.82 -2.635611243e+00 -3.494401699e+00 -3.704672143e+00 2.84 -2.576787075e+00 -3.434916473e+00 -3.652425413e+00 2.86 -2.518394818e+00 -3.374799063e+00 -3.598763464e+00 2.88 -2.460508167e+00 -3.314205159e+00 -3.543890703e+00 2.90 -2.403192994e+00 -3.253277724e+00 -3.487996169e+00 2.92 -2.346507944e+00 -3.192147869e+00 -3.431254546e+00 2.94 -2.290504998e+00 -3.130935668e+00 -3.373827109e+00 2.96 -2.235229989e+00 -3.069750921e+00 -3.315862607e+00 2.98 -2.180723088e+00 -3.008693868e+00 -3.257498094e+00 3.00 -2.127019246e+00 -2.947855849e+00 -3.198859704e+00 3.02 -2.074148618e+00 -2.887319934e+00 -3.140063378e+00 3.04 -2.022136945e+00 -2.827161498e+00 -3.081215545e+00 3.06 -1.971005913e+00 -2.767448766e+00 -3.022413759e+00 3.08 -1.920773492e+00 -2.708243320e+00 -2.963747294e+00 3.10 -1.871454241e+00 -2.649600573e+00 -2.905297707e+00 3.12 -1.823059596e+00 -2.591570211e+00 -2.847139357e+00 3.14 -1.775598142e+00 -2.534196609e+00 -2.789339899e+00 3.16 -1.708603477e+00 -2.450259938e+00 -2.691015982e+00 3.18 -1.664112948e+00 -2.395764415e+00 -2.636290697e+00 3.20 -1.620508892e+00 -2.341953694e+00 -2.581976019e+00 3.22 -1.577793817e+00 -2.288858562e+00 -2.528123164e+00 3.24 -1.535968288e+00 -2.236505980e+00 -2.474778347e+00 3.26 -1.495031108e+00 -2.184919359e+00 -2.421983127e+00 3.28 -1.454979481e+00 -2.134118833e+00 -2.369774737e+00 3.30 -1.415809162e+00 -2.002233921e+00 -2.318186379e+00 3.32 -1.377514600e+00 -1.957231524e+00 -2.267247516e+00 3.34 -1.340089072e+00 -1.912845998e+00 -2.216984136e+00 3.36 -1.303524796e+00 -1.869097400e+00 -2.167419000e+00 3.38 -1.225780074e+00 -1.826003060e+00 -2.118571877e+00 3.40 -1.192990052e+00 -1.783577788e+00 -2.070459762e+00 3.42 -1.160930270e+00 -1.741834059e+00 -2.023097084e+00 3.44 -1.129594778e+00 -1.700782190e+00 -1.976495893e+00 3.46 -1.098976805e+00 -1.660430508e+00 -1.930666042e+00 3.48 -1.069068852e+00 -1.620785500e+00 -1.885615353e+00 3.50 -1.019804847e+00 -1.581851963e+00 -1.841349777e+00 3.52 -9.922652894e-01 -1.543633133e+00 -1.797873536e+00 3.54 -9.653625781e-01 -1.506130817e+00 -1.755189265e+00 3.56 -9.390892938e-01 -1.469345504e+00 -1.713298137e+00 3.58 -9.134375239e-01 -1.433276483e+00 -1.672199984e+00 3.60 -8.883989203e-01 -1.397921938e+00 -1.631893408e+00 3.62 -8.639647539e-01 -1.363279049e+00 -1.592375886e+00 3.64 -8.338085052e-01 -1.329344079e+00 -1.470133568e+00 3.66 -8.108556252e-01 -1.296112457e+00 -1.436045316e+00 3.68 -7.884650026e-01 -1.263578856e+00 -1.402554731e+00 3.70 -7.666275129e-01 -1.231737268e+00 -1.369663844e+00 3.72 -7.453338332e-01 -1.200581066e+00 -1.337373622e+00 3.74 -7.245744772e-01 -1.170103070e+00 -1.305684051e+00 3.76 -7.043398270e-01 -1.140295605e+00 -1.274594213e+00 3.78 -6.846201620e-01 -1.111150555e+00 -1.244102364e+00 3.80 -6.654056858e-01 -1.082659414e+00 -1.214206004e+00 3.82 -6.466865511e-01 -1.054813328e+00 -1.184901936e+00 3.84 -6.284528818e-01 -1.027603147e+00 -1.156186335e+00 3.86 -6.106947937e-01 -9.591327775e-01 -1.128054798e+00 3.88 -5.934024130e-01 -9.349940512e-01 -1.100502401e+00 3.90 -5.765658939e-01 -9.113828522e-01 -1.073523748e+00 3.92 -5.601754335e-01 -8.882926290e-01 -1.047113015e+00 3.94 -5.442212862e-01 -8.657165560e-01 -1.021263997e+00 3.96 -5.286937760e-01 -8.436475671e-01 -9.959701444e-01 3.98 -5.135833085e-01 -8.220783861e-01 -9.712246042e-01 4.00 -4.988803806e-01 -8.010015556e-01 -9.470202518e-01 4.02 -4.845755902e-01 -7.804094632e-01 -9.233497253e-01 4.04 -4.706596440e-01 -7.602943665e-01 -9.002054553e-01 4.06 -4.571233648e-01 -7.406484154e-01 -8.775796930e-01 4.08 -4.439576982e-01 -7.214636735e-01 -8.554645366e-01 4.10 -4.311537179e-01 -7.027321377e-01 -8.338519552e-01 4.12 -4.187026310e-01 -6.844457557e-01 -8.127338114e-01 4.14 -4.065957815e-01 -6.665964429e-01 -7.921018822e-01 4.16 -3.948246548e-01 -6.491760978e-01 -7.719478784e-01 4.18 -3.833808798e-01 -6.321766156e-01 -7.522634619e-01 4.20 -3.722562321e-01 -6.155899015e-01 -7.330402629e-01 4.22 -3.614426357e-01 -5.994078821e-01 -7.142698943e-01 4.24 -3.509321645e-01 -5.836225168e-01 -6.959439662e-01 4.26 -3.407170434e-01 -5.682258071e-01 -6.780540987e-01 4.28 -3.307896495e-01 -5.532098058e-01 -6.605919334e-01 4.30 -3.211425119e-01 -5.385666253e-01 -6.435491444e-01 4.32 -3.117683121e-01 -5.242884447e-01 -6.269174483e-01 4.34 -3.026598840e-01 -5.103675171e-01 -6.106886129e-01 4.36 -2.938102132e-01 -4.967961748e-01 -5.948544658e-01 4.38 -2.852124361e-01 -4.835668352e-01 -5.794069015e-01 4.40 -2.768598397e-01 -4.706720059e-01 -5.643378886e-01 4.42 -2.687458599e-01 -4.581042883e-01 -5.496394753e-01 4.44 -2.608640805e-01 -4.458563820e-01 -5.353037956e-01 4.46 -2.532082316e-01 -4.339210878e-01 -5.004949850e-01 4.48 -2.457721881e-01 -4.222913107e-01 -4.876511268e-01 4.50 -2.385499684e-01 -4.109600624e-01 -4.751171379e-01 4.52 -2.315357319e-01 -3.999204635e-01 -4.628866563e-01 4.54 -2.247237776e-01 -3.891657452e-01 -4.509533835e-01 4.56 -2.181085420e-01 -3.786892507e-01 -4.393110891e-01 4.58 -2.116845970e-01 -3.684844367e-01 -4.279536141e-01 4.60 -2.054466478e-01 -3.585448737e-01 -4.168748745e-01 4.62 -1.993895308e-01 -3.488642473e-01 -4.060688635e-01 4.64 -1.935082110e-01 -3.394363581e-01 -3.955296549e-01 4.66 -1.877977805e-01 -3.302551223e-01 -3.852514049e-01 4.68 -1.822534554e-01 -3.213145713e-01 -3.752283539e-01 4.70 -1.768705739e-01 -3.126088520e-01 -3.654548285e-01 4.72 -1.716445941e-01 -3.041322260e-01 -3.559252428e-01 4.74 -1.665710913e-01 -2.958790695e-01 -3.466340995e-01 4.76 -1.616457557e-01 -2.878438722e-01 -3.375759907e-01 4.78 -1.568643905e-01 -2.800212370e-01 -3.287455992e-01 4.80 -1.522229088e-01 -2.724058791e-01 -3.201376984e-01 4.82 -1.477173321e-01 -2.649926245e-01 -3.117471529e-01 4.84 -1.433437872e-01 -2.577764098e-01 -3.035689190e-01 4.86 -1.390985044e-01 -2.507522800e-01 -2.955980445e-01 4.88 -1.349778151e-01 -2.439153883e-01 -2.878296686e-01 4.90 -1.309781493e-01 -2.372609942e-01 -2.802590217e-01 4.92 -1.270960335e-01 -2.307844622e-01 -2.728814254e-01 4.94 -1.233280886e-01 -2.244812606e-01 -2.656922916e-01 4.96 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