# 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 = Co3Cr # 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 2.668762451e+02 nan nan 0.98 2.435198964e+02 nan nan 1.00 2.223906905e+02 nan nan 1.02 2.030632159e+02 nan nan 1.04 1.855774681e+02 nan nan 1.06 1.695151705e+02 nan nan 1.08 1.548242226e+02 2.321661436e+02 nan 1.10 1.415143921e+02 2.137357357e+02 2.429728199e+02 1.12 1.291720946e+02 1.965594963e+02 2.238547578e+02 1.14 1.180644853e+02 1.807146675e+02 2.065714834e+02 1.16 1.077377454e+02 1.663044365e+02 1.903558035e+02 1.18 9.836770685e+01 1.529779088e+02 1.755084770e+02 1.20 8.963416702e+01 1.410336345e+02 1.619060135e+02 1.22 8.181993372e+01 1.297096288e+02 1.495162315e+02 1.24 7.446258059e+01 1.191978200e+02 1.378459527e+02 1.26 6.790431440e+01 1.096575627e+02 1.271523978e+02 1.28 6.170329992e+01 1.008176589e+02 1.172285744e+02 1.30 5.616236482e+01 9.266559502e+01 1.079719401e+02 1.32 5.095265646e+01 8.502972316e+01 9.954903288e+01 1.34 4.613492463e+01 7.820539545e+01 9.160120665e+01 1.36 4.181603900e+01 7.167332287e+01 8.432513847e+01 1.38 3.782260657e+01 6.566073088e+01 7.767547901e+01 1.40 3.407864855e+01 6.008877813e+01 7.135971465e+01 1.42 3.071828655e+01 5.494155979e+01 6.559047189e+01 1.44 2.767189735e+01 5.040087673e+01 6.017150585e+01 1.46 2.477526706e+01 4.614081526e+01 5.537634075e+01 1.48 2.210030450e+01 4.203855201e+01 5.070526021e+01 1.50 1.964715670e+01 3.824812233e+01 4.647248177e+01 1.52 1.751375091e+01 3.482327839e+01 4.245660453e+01 1.54 1.547796389e+01 3.172910632e+01 3.888837614e+01 1.56 1.357356298e+01 2.871448787e+01 3.542759726e+01 1.58 1.184935625e+01 2.595591797e+01 3.226210263e+01 1.60 1.025120254e+01 2.338094171e+01 2.929021911e+01 1.62 8.920596372e+00 2.100289732e+01 2.653838799e+01 1.64 7.570719395e+00 1.880711738e+01 2.414096727e+01 1.66 6.337816525e+00 1.685473294e+01 2.176694841e+01 1.68 5.212646219e+00 1.505083245e+01 1.956991783e+01 1.70 4.186710957e+00 1.331077770e+01 1.753708379e+01 1.72 3.332340188e+00 1.170633231e+01 1.565663085e+01 1.74 2.531056019e+00 1.030262636e+01 1.391763790e+01 1.76 1.765262780e+00 8.933134741e+00 1.253753198e+01 1.78 1.050992377e+00 7.672332049e+00 1.103032262e+01 1.80 4.038302954e-01 6.512298853e+00 9.638507630e+00 1.82 -1.547605170e-01 5.546050732e+00 8.434189751e+00 1.84 -6.856642332e-01 4.556951721e+00 7.241792581e+00 1.86 -1.123211709e+00 3.799210924e+00 6.142575322e+00 1.88 -1.497748012e+00 2.953088425e+00 5.129932272e+00 1.90 -1.872580502e+00 2.178014995e+00 4.278351922e+00 1.92 -2.226390883e+00 1.468810282e+00 3.413848495e+00 1.94 -2.541663372e+00 8.591266362e-01 2.619434030e+00 1.96 -2.821514935e+00 2.642762112e-01 1.890146732e+00 1.98 -3.068824077e+00 -2.778152060e-01 1.221376097e+00 2.00 -3.286249484e+00 -7.710104650e-01 6.869762103e-01 2.02 -3.476247128e+00 -1.218895897e+00 1.201438475e-01 2.04 -3.641085955e+00 -1.624801985e+00 -3.976033168e-01 2.06 -3.725153856e+00 -1.991822360e+00 -8.697589697e-01 2.08 -3.831388571e+00 -2.322831288e+00 -1.299573930e+00 2.10 -3.924354195e+00 -2.552809045e+00 -1.610531237e+00 2.12 -4.003883650e+00 -2.788155959e+00 -1.932526483e+00 2.14 -4.078186795e+00 -3.034308247e+00 -2.261530299e+00 2.16 -4.137198195e+00 -3.253429716e+00 -2.558396105e+00 2.18 -4.182266041e+00 -3.447564785e+00 -2.825454469e+00 2.20 -4.214635586e+00 -3.618614228e+00 -3.064876016e+00 2.22 -4.235456844e+00 -3.768345396e+00 -3.278682666e+00 2.24 -4.207317603e+00 -3.821453483e+00 -3.449520981e+00 2.26 -4.211039327e+00 -3.939148962e+00 -3.619066465e+00 2.28 -4.205942913e+00 -4.039685080e+00 -3.768162323e+00 2.30 -4.192879402e+00 -4.124415572e+00 -3.898340278e+00 2.32 -4.134384989e+00 -4.194599132e+00 -4.011027608e+00 2.34 -4.051076803e+00 -4.251406024e+00 -4.107554293e+00 2.36 -4.025437755e+00 -4.295924220e+00 -4.189159648e+00 2.38 -3.994129618e+00 -4.329165090e+00 -4.256998483e+00 2.40 -3.957754343e+00 -4.352068696e+00 -4.161304433e+00 2.42 -3.916866431e+00 -4.365508691e+00 -4.215403653e+00 2.44 -3.871976420e+00 -4.289508268e+00 -4.258000993e+00 2.46 -3.823554105e+00 -4.291962999e+00 -4.290018818e+00 2.48 -3.772031536e+00 -4.286838774e+00 -4.312316240e+00 2.50 -3.717805786e+00 -4.274812181e+00 -4.325693338e+00 2.52 -3.661241525e+00 -4.180257870e+00 -4.330895097e+00 2.54 -3.602673407e+00 -4.161390641e+00 -4.328615072e+00 2.56 -3.542408278e+00 -4.137030427e+00 -4.319498804e+00 2.58 -3.480727233e+00 -4.107702139e+00 -4.277924547e+00 2.60 -3.417887520e+00 -4.073892709e+00 -4.258612349e+00 2.62 -3.354124304e+00 -4.036053654e+00 -4.234031299e+00 2.64 -3.289652311e+00 -3.994603474e+00 -4.204671930e+00 2.66 -3.224667348e+00 -3.949929892e+00 -4.170990221e+00 2.68 -3.159347719e+00 -3.902391933e+00 -4.133409880e+00 2.70 -3.074156787e+00 -3.852321873e+00 -4.092324478e+00 2.72 -3.009869438e+00 -3.800027050e+00 -4.048099430e+00 2.74 -2.945613377e+00 -3.726342910e+00 -4.001073860e+00 2.76 -2.843188796e+00 -3.671631632e+00 -3.951562331e+00 2.78 -2.781723079e+00 -3.615410252e+00 -3.899856473e+00 2.80 -2.720483559e+00 -3.557906729e+00 -3.846226493e+00 2.82 -2.639145362e+00 -3.499331220e+00 -3.710763178e+00 2.84 -2.579867489e+00 -3.439877290e+00 -3.658820738e+00 2.86 -2.521015409e+00 -3.379723050e+00 -3.605363091e+00 2.88 -2.462665894e+00 -3.319032216e+00 -3.550605055e+00 2.90 -2.404887543e+00 -3.257955098e+00 -3.494745251e+00 2.92 -2.347741411e+00 -3.196629526e+00 -3.437967174e+00 2.94 -2.291281597e+00 -3.135181710e+00 -3.380440195e+00 2.96 -2.235555790e+00 -3.073727049e+00 -3.322320493e+00 2.98 -2.180605769e+00 -3.012370882e+00 -3.263751937e+00 3.00 -2.126467883e+00 -2.951209195e+00 -3.204866905e+00 3.02 -2.073173480e+00 -2.890329272e+00 -3.145787053e+00 3.04 -2.020749314e+00 -2.829810316e+00 -3.086624032e+00 3.06 -1.969217925e+00 -2.769724016e+00 -3.027480166e+00 3.08 -1.918597986e+00 -2.710135084e+00 -2.968449077e+00 3.10 -1.868904627e+00 -2.651101758e+00 -2.909616280e+00 3.12 -1.820149736e+00 -2.592676264e+00 -2.851059732e+00 3.14 -1.772342240e+00 -2.534905256e+00 -2.792850354e+00 3.16 -1.705830111e+00 -2.451632776e+00 -2.695736008e+00 3.18 -1.660990599e+00 -2.396699277e+00 -2.640521934e+00 3.20 -1.617053342e+00 -2.342455215e+00 -2.585716960e+00 3.22 -1.574020839e+00 -2.288932777e+00 -2.531374419e+00 3.24 -1.531893585e+00 -2.236160152e+00 -2.477542420e+00 3.26 -1.490670256e+00 -2.184161822e+00 -2.424264211e+00 3.28 -1.450347884e+00 -2.132958847e+00 -2.371578519e+00 3.30 -1.410922008e+00 -2.003870170e+00 -2.319519872e+00 3.32 -1.372386829e+00 -1.958365508e+00 -2.268118891e+00 3.34 -1.334735339e+00 -1.913492962e+00 -2.217402579e+00 3.36 -1.297959450e+00 -1.869272974e+00 -2.167394576e+00 3.38 -1.222180770e+00 -1.825723168e+00 -2.118115407e+00 3.40 -1.189127131e+00 -1.782858561e+00 -2.069582709e+00 3.42 -1.156819573e+00 -1.740691763e+00 -2.021811448e+00 3.44 -1.125251712e+00 -1.699233158e+00 -1.974814120e+00 3.46 -1.094416339e+00 -1.658491077e+00 -1.928600937e+00 3.48 -1.064305504e+00 -1.618471960e+00 -1.883180001e+00 3.50 -1.015365231e+00 -1.579180504e+00 -1.838557472e+00 3.52 -9.876320432e-01 -1.540619807e+00 -1.794737721e+00 3.54 -9.605494163e-01 -1.502791494e+00 -1.751723467e+00 3.56 -9.341094600e-01 -1.465695845e+00 -1.709515921e+00 3.58 -9.083037918e-01 -1.429331902e+00 -1.668114901e+00 3.60 -8.831235966e-01 -1.393697585e+00 -1.627518957e+00 3.62 -8.585596824e-01 -1.358789781e+00 -1.587725473e+00 3.64 -8.282850721e-01 -1.324604444e+00 -1.468455337e+00 3.66 -8.052247656e-01 -1.291136677e+00 -1.434006906e+00 3.68 -7.827372074e-01 -1.258380816e+00 -1.400172344e+00 3.70 -7.608128365e-01 -1.226330499e+00 -1.366953416e+00 3.72 -7.394419024e-01 -1.194978742e+00 -1.334350802e+00 3.74 -7.186145000e-01 -1.164317999e+00 -1.302364180e+00 3.76 -6.983206017e-01 -1.134340223e+00 -1.270992310e+00 3.78 -6.785500875e-01 -1.105036924e+00 -1.240233113e+00 3.80 -6.592927715e-01 -1.076399216e+00 -1.210083740e+00 3.82 -6.405384272e-01 -1.048417873e+00 -1.180540639e+00 3.84 -6.222768098e-01 -1.021083363e+00 -1.151599619e+00 3.86 -6.044976769e-01 -9.541547661e-01 -1.123255911e+00 3.88 -5.871908074e-01 -9.298592691e-01 -1.095504216e+00 3.90 -5.703460189e-01 -9.061025818e-01 -1.068338762e+00 3.92 -5.539531823e-01 -8.828777616e-01 -1.041753350e+00 3.94 -5.380022366e-01 -8.601775963e-01 -1.015741396e+00 3.96 -5.224832013e-01 -8.379946379e-01 -9.902959762e-01 3.98 -5.073861875e-01 -8.163212340e-01 -9.654098628e-01 4.00 -4.927014083e-01 -7.951495568e-01 -9.410755602e-01 4.02 -4.784191878e-01 -7.744716301e-01 -9.172853389e-01 4.04 -4.645299690e-01 -7.542793546e-01 -8.940312661e-01 4.06 -4.510243211e-01 -7.345645306e-01 -8.713052345e-01 4.08 -4.378929455e-01 -7.153188796e-01 -8.490989889e-01 4.10 -4.251266815e-01 -6.965340639e-01 -8.274041509e-01 4.12 -4.127165106e-01 -6.782017048e-01 -8.062122417e-01 4.14 -4.006535610e-01 -6.603133993e-01 -7.855147036e-01 4.16 -3.889291104e-01 -6.428607356e-01 -7.653029191e-01 4.18 -3.775345893e-01 -6.258353069e-01 -7.455682293e-01 4.20 -3.664615830e-01 -6.092287248e-01 -7.263019504e-01 4.22 -3.557018332e-01 -5.930326307e-01 -7.074953889e-01 4.24 -3.452472397e-01 -5.772387067e-01 -6.891398562e-01 4.26 -3.350898612e-01 -5.618386857e-01 -6.712266809e-01 4.28 -3.252219154e-01 -5.468243601e-01 -6.537472209e-01 4.30 -3.156357800e-01 -5.321875899e-01 -6.366928746e-01 4.32 -3.063239916e-01 -5.179203101e-01 -6.200550903e-01 4.34 -2.972792463e-01 -5.040145375e-01 -6.038253753e-01 4.36 -2.884943981e-01 -4.904623761e-01 -5.879953044e-01 4.38 -2.799624588e-01 -4.772560229e-01 -5.725565270e-01 4.40 -2.716765962e-01 -4.643877725e-01 -5.575007740e-01 4.42 -2.636301333e-01 -4.518500211e-01 -5.428198638e-01 4.44 -2.558165465e-01 -4.396352701e-01 -5.285057074e-01 4.46 -2.482294642e-01 -4.277361297e-01 -4.945466698e-01 4.48 -2.408626649e-01 -4.161453212e-01 -4.817087461e-01 4.50 -2.337100754e-01 -4.048556795e-01 -4.691846387e-01 4.52 -2.267657686e-01 -3.938601551e-01 -4.569677832e-01 4.54 -2.200239618e-01 -3.831518159e-01 -4.450516855e-01 4.56 -2.134790141e-01 -3.727238481e-01 -4.334299260e-01 4.58 -2.071254243e-01 -3.625695574e-01 -4.220961628e-01 4.60 -2.009578291e-01 -3.526823698e-01 -4.110441356e-01 4.62 -1.949709998e-01 -3.430558322e-01 -4.002676673e-01 4.64 -1.891598407e-01 -3.336836122e-01 -3.897606678e-01 4.66 -1.835193865e-01 -3.245594985e-01 -3.795171347e-01 4.68 -1.780447996e-01 -3.156774007e-01 -3.695311564e-01 4.70 -1.727313679e-01 -3.070313490e-01 -3.597969126e-01 4.72 -1.675745021e-01 -2.986154933e-01 -3.503086763e-01 4.74 -1.625697335e-01 -2.904241031e-01 -3.410608143e-01 4.76 -1.577127113e-01 -2.824515664e-01 -3.320477884e-01 4.78 -1.529992003e-01 -2.746923890e-01 -3.232641557e-01 4.80 -1.484250780e-01 -2.671411930e-01 -3.147045693e-01 4.82 -1.439863328e-01 -2.597927163e-01 -3.063637785e-01 4.84 -1.396790610e-01 -2.526418111e-01 -2.982366285e-01 4.86 -1.354994646e-01 -2.456834423e-01 -2.903180608e-01 4.88 -1.314438490e-01 -2.389126869e-01 -2.826031128e-01 4.90 -1.275086202e-01 -2.323247318e-01 -2.750869175e-01 4.92 -1.236902830e-01 -2.259148726e-01 -2.677647030e-01 4.94 -1.199854381e-01 -2.196785122e-01 -2.606317919e-01 4.96 -1.163907805e-01 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