# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Al # implementation = 2025--Sharifi-H--Fe-Co-Al--LAMMPS--ipr1 # composition = Co3Fe # 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 7.634074142e+02 nan nan 0.92 6.878558879e+02 nan nan 0.94 6.171994449e+02 nan nan 0.96 5.520953791e+02 nan nan 0.98 4.927787500e+02 7.442349954e+02 nan 1.00 4.392007675e+02 6.791739869e+02 nan 1.02 3.911292658e+02 6.185049202e+02 7.054336552e+02 1.04 3.482208271e+02 5.624322916e+02 6.474085045e+02 1.06 3.099764475e+02 5.107103782e+02 5.930630057e+02 1.08 2.755282280e+02 4.620420541e+02 5.406625023e+02 1.10 2.445938446e+02 4.166068543e+02 4.907062191e+02 1.12 2.169390808e+02 3.746202930e+02 4.437514607e+02 1.14 1.923031923e+02 3.361338991e+02 4.001038676e+02 1.16 1.704164257e+02 3.010851516e+02 3.598861332e+02 1.18 1.510119743e+02 2.693351224e+02 3.230908619e+02 1.20 1.338337893e+02 2.406964673e+02 2.896207692e+02 1.22 1.186413859e+02 2.149539986e+02 2.593190020e+02 1.24 1.052124969e+02 1.918795702e+02 2.319917620e+02 1.26 9.334421629e+01 1.712426536e+02 2.074249990e+02 1.28 8.285310784e+01 1.528176473e+02 1.853965196e+02 1.30 7.357462316e+01 1.363887419e+02 1.656845930e+02 1.32 6.536208849e+01 1.217529711e+02 1.480738915e+02 1.34 5.808543730e+01 1.087219290e+02 1.323594195e+02 1.36 5.162982186e+01 9.712252932e+01 1.183489447e+02 1.38 4.589418617e+01 8.679708228e+01 1.058643212e+02 1.40 4.078987141e+01 7.760290568e+01 9.474201223e+01 1.42 3.623928887e+01 6.941162844e+01 8.483304678e+01 1.44 3.217467583e+01 6.210830150e+01 7.600258024e+01 1.46 2.853695160e+01 5.559040695e+01 6.812919795e+01 1.48 2.527467764e+01 4.976682354e+01 6.110405631e+01 1.50 2.234312255e+01 4.455679295e+01 5.482994575e+01 1.52 1.970342680e+01 3.988891890e+01 4.922032580e+01 1.54 1.732186085e+01 3.570021480e+01 4.419836236e+01 1.56 1.516916945e+01 3.193521398e+01 3.969599653e+01 1.58 1.321999505e+01 2.854514911e+01 3.565306206e+01 1.60 1.145237144e+01 2.548720070e+01 3.201645847e+01 1.62 9.847281006e+00 2.272381626e+01 2.873938865e+01 1.64 8.388267757e+00 2.022209670e+01 2.578066139e+01 1.66 7.061097014e+00 1.795324547e+01 2.310405699e+01 1.68 5.853382417e+00 1.589207774e+01 2.067775639e+01 1.70 4.754194134e+00 1.401658240e+01 1.847382805e+01 1.72 3.753855452e+00 1.230750253e+01 1.646776948e+01 1.74 2.843799224e+00 1.074793768e+01 1.463809973e+01 1.76 2.016434970e+00 9.323044573e+00 1.296599705e+01 1.78 1.264957010e+00 8.019760413e+00 1.143497841e+01 1.80 5.831681080e-01 6.826536776e+00 1.003061653e+01 1.82 -3.458857094e-02 5.733151635e+00 8.740290029e+00 1.84 -5.934796643e-01 4.730555498e+00 7.552963729e+00 1.86 -1.098227022e+00 3.810735448e+00 6.458995220e+00 1.88 -1.553148734e+00 2.966594998e+00 5.449964532e+00 1.90 -1.962196112e+00 2.191848303e+00 4.518524715e+00 1.92 -2.328987086e+00 1.480926681e+00 3.658270345e+00 1.94 -2.656836354e+00 8.288960579e-01 2.863621882e+00 1.96 -2.948782591e+00 2.313835370e-01 2.129723220e+00 1.98 -3.207613038e+00 -3.155094335e-01 1.452318679e+00 2.00 -3.435885757e+00 -8.153079750e-01 8.276084411e-01 2.02 -3.635949742e+00 -1.271214104e+00 2.521794521e-01 2.04 -3.809965786e+00 -1.686147145e+00 -2.770491816e-01 2.06 -3.959938718e+00 -2.062817711e+00 -7.629315131e-01 2.08 -4.087737155e+00 -2.403774549e+00 -1.208159706e+00 2.10 -4.195105992e+00 -2.711415451e+00 -1.615275408e+00 2.12 -4.283675211e+00 -2.987996941e+00 -1.986677807e+00 2.14 -4.354966846e+00 -3.235657237e+00 -2.324631267e+00 2.16 -4.410401545e+00 -3.456415664e+00 -2.631272567e+00 2.18 -4.451304781e+00 -3.652166110e+00 -2.908617730e+00 2.20 -4.478926737e+00 -3.824683191e+00 -3.158568506e+00 2.22 -4.494465218e+00 -3.975630347e+00 -3.382918518e+00 2.24 -4.499034465e+00 -4.106567267e+00 -3.583359053e+00 2.26 -4.493665071e+00 -4.218956130e+00 -3.761484580e+00 2.28 -4.479309923e+00 -4.314167447e+00 -3.918797958e+00 2.30 -4.456849718e+00 -4.393485545e+00 -4.056715365e+00 2.32 -4.427098082e+00 -4.458113736e+00 -4.176570986e+00 2.34 -4.390806330e+00 -4.509179146e+00 -4.279621435e+00 2.36 -4.348667883e+00 -4.547737276e+00 -4.367049951e+00 2.38 -4.301322372e+00 -4.574776283e+00 -4.439970379e+00 2.40 -4.249359456e+00 -4.591220996e+00 -4.499430928e+00 2.42 -4.193322366e+00 -4.597936702e+00 -4.546417745e+00 2.44 -4.133711202e+00 -4.595732830e+00 -4.581858487e+00 2.46 -4.070985996e+00 -4.585375513e+00 -4.606639340e+00 2.48 -4.005569564e+00 -4.567594706e+00 -4.621614019e+00 2.50 -3.937850153e+00 -4.543070725e+00 -4.627582003e+00 2.52 -3.868183755e+00 -4.512435535e+00 -4.625289011e+00 2.54 -3.796896013e+00 -4.476274877e+00 -4.615428840e+00 2.56 -3.724284883e+00 -4.435132638e+00 -4.598648660e+00 2.58 -3.650622757e+00 -4.389513988e+00 -4.575552553e+00 2.60 -3.576158287e+00 -4.339887908e+00 -4.546704211e+00 2.62 -3.501118078e+00 -4.286689541e+00 -4.512629463e+00 2.64 -3.425708265e+00 -4.230322407e+00 -4.473818639e+00 2.66 -3.350115973e+00 -4.171160457e+00 -4.430728799e+00 2.68 -3.274510689e+00 -4.109550008e+00 -4.383785807e+00 2.70 -3.199045521e+00 -4.045811545e+00 -4.333386287e+00 2.72 -3.123858420e+00 -3.980241410e+00 -4.279899452e+00 2.74 -3.049626612e+00 -3.913113377e+00 -4.223668824e+00 2.76 -2.980943507e+00 -3.844680136e+00 -4.165013843e+00 2.78 -2.912174605e+00 -3.775174671e+00 -4.104231380e+00 2.80 -2.839074334e+00 -3.704811550e+00 -4.041597153e+00 2.82 -2.766744891e+00 -3.633788142e+00 -3.977367064e+00 2.84 -2.695253621e+00 -3.562285745e+00 -3.911778441e+00 2.86 -2.624658896e+00 -3.490470648e+00 -3.845051217e+00 2.88 -2.555010781e+00 -3.418495121e+00 -3.777389033e+00 2.90 -2.486351645e+00 -3.346498348e+00 -3.708980263e+00 2.92 -2.418716732e+00 -3.274607295e+00 -3.639998995e+00 2.94 -2.352134684e+00 -3.202937526e+00 -3.570605936e+00 2.96 -2.286628030e+00 -3.131593964e+00 -3.500949274e+00 2.98 -2.222213642e+00 -3.060671607e+00 -3.431165478e+00 3.00 -2.158903148e+00 -2.990256198e+00 -3.361380054e+00 3.02 -2.096703324e+00 -2.920424845e+00 -3.291708258e+00 3.04 -2.035616448e+00 -2.851246616e+00 -3.222255758e+00 3.06 -1.975640630e+00 -2.782783076e+00 -3.153119265e+00 3.08 -1.916770120e+00 -2.715088807e+00 -3.084387116e+00 3.10 -1.858995587e+00 -2.648211886e+00 -3.016139829e+00 3.12 -1.802304380e+00 -2.582194327e+00 -2.948450623e+00 3.14 -1.746680765e+00 -2.517072506e+00 -2.881385901e+00 3.16 -1.692106148e+00 -2.452877544e+00 -2.815005711e+00 3.18 -1.638559278e+00 -2.389635676e+00 -2.749364172e+00 3.20 -1.586016438e+00 -2.327368592e+00 -2.684509880e+00 3.22 -1.534451618e+00 -2.266093747e+00 -2.620486285e+00 3.24 -1.483836685e+00 -2.205824665e+00 -2.557332046e+00 3.26 -1.434141532e+00 -2.146571206e+00 -2.495081364e+00 3.28 -1.385334232e+00 -2.088339830e+00 -2.433764297e+00 3.30 -1.337381181e+00 -2.031133834e+00 -2.373407053e+00 3.32 -1.290247238e+00 -1.974953572e+00 -2.314032265e+00 3.34 -1.243895872e+00 -1.919796668e+00 -2.255659253e+00 3.36 -1.198289308e+00 -1.865658205e+00 -2.198304264e+00 3.38 -1.153388685e+00 -1.812530909e+00 -2.141980705e+00 3.40 -1.109154225e+00 -1.760405315e+00 -2.086699353e+00 3.42 -1.065545423e+00 -1.709269925e+00 -2.032468561e+00 3.44 -1.022521253e+00 -1.659111354e+00 -1.979294443e+00 3.46 -9.800404152e-01 -1.609914468e+00 -1.927181054e+00 3.48 -9.380616097e-01 -1.561662510e+00 -1.876143431e+00 3.50 -8.965438578e-01 -1.514337224e+00 -1.826512575e+00 3.52 -8.554468753e-01 -1.467918966e+00 -1.779232231e+00 3.54 -8.147315038e-01 -1.422386813e+00 -1.732929187e+00 3.56 -7.743602094e-01 -1.377718670e+00 -1.686239966e+00 3.58 -7.342976557e-01 -1.333891364e+00 -1.640614833e+00 3.60 -6.945113560e-01 -1.290880752e+00 -1.596047876e+00 3.62 -6.549724095e-01 -1.248661809e+00 -1.552532190e+00 3.64 -6.156563211e-01 -1.207208740e+00 -1.510059982e+00 3.66 -5.765439028e-01 -1.166495071e+00 -1.468622655e+00 3.68 -5.376222470e-01 -1.126493767e+00 -1.428210900e+00 3.70 -4.988857560e-01 -1.087177343e+00 -1.388814768e+00 3.72 -4.603372051e-01 -1.048517991e+00 -1.350423754e+00 3.74 -4.219888061e-01 -1.010487718e+00 -1.313026856e+00 3.76 -3.838632269e-01 -9.730585023e-01 -1.276612648e+00 3.78 -3.459945156e-01 -9.362024615e-01 -1.241169333e+00 3.80 -3.084288628e-01 -8.998920484e-01 -1.206684804e+00 3.82 -2.712251309e-01 -8.641002672e-01 -1.173146691e+00 3.84 -2.344550720e-01 -8.288009181e-01 -1.140542410e+00 3.86 -1.982031539e-01 -7.939688701e-01 -1.108859206e+00 3.88 -1.625659212e-01 -7.595803665e-01 -1.078084197e+00 3.90 -1.276508279e-01 -7.256133618e-01 -1.048204402e+00 3.92 -9.357450283e-02 -6.920478917e-01 -1.019206786e+00 3.94 -6.046043476e-02 -6.588664753e-01 -9.910782777e-01 3.96 -2.843610488e-02 -6.260545451e-01 -9.638058079e-01 3.98 2.370364106e-03 -5.936009014e-01 -9.373763264e-01 4.00 3.183392848e-02 -5.614981822e-01 -9.117768261e-01 4.02 6.387498648e-02 -5.297433397e-01 -8.869943608e-01 4.04 1.383789204e-01 -4.983381073e-01 -8.630160611e-01 4.06 2.017632476e-01 -4.672894419e-01 -8.398291468e-01 4.08 1.752140940e-01 -4.366099194e-01 -8.174209371e-01 4.10 1.804304529e-01 -4.063180598e-01 -7.957788578e-01 4.12 1.863566706e-01 -3.764385547e-01 -7.748904458e-01 4.14 1.918595393e-01 -3.470023685e-01 -7.547433510e-01 4.16 1.969709257e-01 -3.180466846e-01 -7.353253346e-01 4.18 2.017187706e-01 -2.896146694e-01 -7.166242659e-01 4.20 2.061275119e-01 -2.617550296e-01 -6.986281152e-01 4.22 2.102185160e-01 -2.345213467e-01 -6.813249443e-01 4.24 2.140104986e-01 -2.079711801e-01 -6.647028944e-01 4.26 2.175199230e-01 -1.822010703e-01 -6.487501708e-01 4.28 2.207613659e-01 -1.580526789e-01 -6.334550250e-01 4.30 2.237478428e-01 -1.367051749e-01 -6.188057339e-01 4.32 2.264910920e-01 -1.120778160e-01 -6.047905764e-01 4.34 2.290018149e-01 -8.975819432e-02 -5.913978072e-01 4.36 2.312898751e-01 -7.207349655e-02 -5.786156274e-01 4.38 2.333644602e-01 -5.549858895e-02 -5.664321533e-01 4.40 2.346167805e-01 -4.002282329e-02 -5.548353815e-01 4.42 2.237310322e-01 -2.562621293e-02 -5.438131522e-01 4.44 1.648349842e-01 -1.228003557e-02 -5.333531091e-01 4.46 -2.971696940e-01 5.231448921e-05 -5.234426572e-01 4.48 -2.013314695e-01 1.141426975e-02 -5.140689175e-01 4.50 -1.966439849e-01 2.185488172e-02 -5.052186804e-01 4.52 -1.920717308e-01 3.142751927e-02 -4.968783551e-01 4.54 -1.876121162e-01 4.018853092e-02 -4.890339187e-01 4.56 -1.832625930e-01 4.819592627e-02 -4.816708625e-01 4.58 -1.790206566e-01 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1.114041669e-01 -4.055462441e-01 4.96 -9.434061619e-02 8.477058207e-02 -3.818705556e-01 4.98 -5.064531534e-02 3.146690551e-02 -2.687093994e-01 5.00 -3.207677243e-23 -2.265825096e-22 -2.420335886e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 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