# 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 = AlCo3 # 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 6.567521874e+02 nan nan 0.92 5.935026656e+02 nan nan 0.94 5.354761798e+02 nan nan 0.96 4.826510352e+02 nan nan 0.98 4.348408297e+02 5.750753049e+02 nan 1.00 3.917583052e+02 5.245547024e+02 nan 1.02 3.530604655e+02 4.785588902e+02 5.991805535e+02 1.04 3.183798817e+02 4.367845515e+02 5.542745384e+02 1.06 2.872505261e+02 3.986560015e+02 5.129301991e+02 1.08 2.588729047e+02 3.626769223e+02 4.730080385e+02 1.10 2.330531681e+02 3.289218960e+02 4.347500929e+02 1.12 2.096549245e+02 2.975681682e+02 3.985646753e+02 1.14 1.885172925e+02 2.686750277e+02 3.646864851e+02 1.16 1.694675901e+02 2.422183706e+02 3.332224095e+02 1.18 1.523302739e+02 2.181170366e+02 3.041871162e+02 1.20 1.369330338e+02 1.962525783e+02 2.775303411e+02 1.22 1.231107926e+02 1.764839500e+02 2.531576589e+02 1.24 1.107081749e+02 1.586582765e+02 2.309461430e+02 1.26 9.958087903e+01 1.426186255e+02 2.107560612e+02 1.28 8.959627000e+01 1.282094891e+02 1.924394847e+02 1.30 8.063342496e+01 1.152805459e+02 1.758465151e+02 1.32 7.258280640e+01 1.036891182e+02 1.608296836e+02 1.34 6.534573333e+01 9.330166198e+01 1.472469546e+02 1.36 5.883369828e+01 8.399454838e+01 1.349636777e+02 1.38 5.296760152e+01 7.565433321e+01 1.238537497e+02 1.40 4.767695937e+01 6.817766609e+01 1.138001994e+02 1.42 4.289911792e+01 6.147095295e+01 1.046953528e+02 1.44 3.857849398e+01 5.544985601e+01 9.644070281e+01 1.46 3.466585712e+01 5.003869125e+01 8.894657014e+01 1.48 3.111766085e+01 4.516978109e+01 8.213164341e+01 1.50 2.789542753e+01 4.078279851e+01 7.592246613e+01 1.52 2.496518683e+01 3.682410900e+01 7.025288333e+01 1.54 2.229696675e+01 3.324613331e+01 6.506348238e+01 1.56 1.986433515e+01 3.000674326e+01 6.030105111e+01 1.58 1.764398923e+01 2.706869790e+01 5.591806610e+01 1.60 1.561538857e+01 2.439912148e+01 5.187221591e+01 1.62 1.376042885e+01 2.196902577e+01 4.812596291e+01 1.64 1.206315202e+01 1.975287562e+01 4.464614366e+01 1.66 1.050948658e+01 1.772819577e+01 4.140360443e+01 1.68 9.086935492e+00 1.587521787e+01 3.837286706e+01 1.70 7.784234266e+00 1.417656400e+01 3.553181749e+01 1.72 6.591200049e+00 1.261696328e+01 3.286141105e+01 1.74 5.498628178e+00 1.118299266e+01 3.034538945e+01 1.76 4.498198058e+00 9.862846896e+00 2.797000383e+01 1.78 3.582382338e+00 8.646130617e+00 2.572374162e+01 1.80 2.744340504e+00 7.523635710e+00 2.359705617e+01 1.82 1.977840304e+00 6.487159043e+00 2.158209964e+01 1.84 1.277286408e+00 5.529386727e+00 1.967246238e+01 1.86 6.376575497e-01 4.643794480e+00 1.786292211e+01 1.88 5.434699825e-02 3.824559148e+00 1.614920752e+01 1.90 -4.768793388e-01 3.066480442e+00 1.452778128e+01 1.92 -9.599149290e-01 2.364911527e+00 1.299564645e+01 1.94 -1.398341735e+00 1.715697509e+00 1.155017934e+01 1.96 -1.795456688e+00 1.115121028e+00 1.018899081e+01 1.98 -2.154295800e+00 5.598532650e-01 8.909815282e+00 2.00 -2.477656110e+00 4.690144000e-02 7.710414297e+00 2.02 -2.768115671e+00 -4.264397788e-01 6.588504213e+00 2.04 -3.028054402e+00 -8.626205709e-01 5.541721794e+00 2.06 -3.259686391e+00 -1.263856028e+00 4.567610409e+00 2.08 -3.465079709e+00 -1.632214738e+00 3.663535898e+00 2.10 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2.46 -4.347209769e+00 -4.483761928e+00 -4.144682188e+00 2.48 -4.307450464e+00 -4.498137686e+00 -4.247476319e+00 2.50 -4.264004035e+00 -4.504917766e+00 -4.333648661e+00 2.52 -4.217304873e+00 -4.504694929e+00 -4.404578633e+00 2.54 -4.167750816e+00 -4.498024127e+00 -4.461545031e+00 2.56 -4.115706401e+00 -4.485425907e+00 -4.505734068e+00 2.58 -4.061505446e+00 -4.467392011e+00 -4.538249710e+00 2.60 -4.005453306e+00 -4.444409428e+00 -4.560145733e+00 2.62 -3.947828979e+00 -4.416929655e+00 -4.572409570e+00 2.64 -3.888887061e+00 -4.385377707e+00 -4.575951232e+00 2.66 -3.828859555e+00 -4.350154867e+00 -4.571608807e+00 2.68 -3.767957564e+00 -4.311629889e+00 -4.560153738e+00 2.70 -3.706372851e+00 -4.270145054e+00 -4.542295776e+00 2.72 -3.644279300e+00 -4.226017864e+00 -4.518687605e+00 2.74 -3.581856106e+00 -4.179542619e+00 -4.489929154e+00 2.76 -3.519426683e+00 -4.130991912e+00 -4.456571617e+00 2.78 -3.456894816e+00 -4.080618028e+00 -4.419121176e+00 2.80 -3.394192223e+00 -4.028654252e+00 -4.378042462e+00 2.82 -3.331625448e+00 -3.975316111e+00 -4.333761762e+00 2.84 -3.269274794e+00 -3.920802522e+00 -4.286670292e+00 2.86 -3.206562392e+00 -3.865296889e+00 -4.237144292e+00 2.88 -3.141913316e+00 -3.808968116e+00 -4.185556572e+00 2.90 -3.080079488e+00 -3.751971570e+00 -4.132081065e+00 2.92 -3.019430835e+00 -3.694449976e+00 -4.077037905e+00 2.94 -2.959334380e+00 -3.636534263e+00 -4.020696538e+00 2.96 -2.899831052e+00 -3.578344351e+00 -3.963286430e+00 2.98 -2.840955548e+00 -3.519989899e+00 -3.905016998e+00 3.00 -2.782736831e+00 -3.461570995e+00 -3.846079174e+00 3.02 -2.725198591e+00 -3.403138465e+00 -3.786646862e+00 3.04 -2.668359669e+00 -3.344268165e+00 -3.726878265e+00 3.06 -2.612234450e+00 -3.284827326e+00 -3.666917127e+00 3.08 -2.556833219e+00 -3.226977904e+00 -3.606893868e+00 3.10 -2.502162499e+00 -3.169471296e+00 -3.546926632e+00 3.12 -2.448225348e+00 -3.112335161e+00 -3.487122262e+00 3.14 -2.395021643e+00 -3.055618544e+00 -3.427577191e+00 3.16 -2.342548339e+00 -2.999365110e+00 -3.368378265e+00 3.18 -2.290799698e+00 -2.943613519e+00 -3.309603510e+00 3.20 -2.239767511e+00 -2.888397785e+00 -3.251322833e+00 3.22 -2.189441297e+00 -2.833747603e+00 -3.193598668e+00 3.24 -2.139808479e+00 -2.779688666e+00 -3.136486580e+00 3.26 -2.090854555e+00 -2.726242945e+00 -3.080035812e+00 3.28 -2.042563253e+00 -2.673428963e+00 -3.024289802e+00 3.30 -1.994916669e+00 -2.621262043e+00 -2.969286648e+00 3.32 -1.947895400e+00 -2.569754543e+00 -2.915059547e+00 3.34 -1.901478668e+00 -2.518916069e+00 -2.861637194e+00 3.36 -1.855644431e+00 -2.468753683e+00 -2.809044156e+00 3.38 -1.810369497e+00 -2.419272084e+00 -2.757301213e+00 3.40 -1.765629627e+00 -2.370473791e+00 -2.706425671e+00 3.42 -1.721399639e+00 -2.322359296e+00 -2.656431660e+00 3.44 -1.677653512e+00 -2.274927221e+00 -2.607330397e+00 3.46 -1.634364493e+00 -2.228174457e+00 -2.559130441e+00 3.48 -1.591505212e+00 -2.182096289e+00 -2.511778446e+00 3.50 -1.549047795e+00 -2.136686523e+00 -2.463748662e+00 3.52 -1.506964003e+00 -2.091937589e+00 -2.410631117e+00 3.54 -1.465225375e+00 -2.047840652e+00 -2.359015492e+00 3.56 -1.423803393e+00 -2.004385700e+00 -2.315250126e+00 3.58 -1.382669665e+00 -1.961561638e+00 -2.272392115e+00 3.60 -1.341796138e+00 -1.919356366e+00 -2.230437045e+00 3.62 -1.301155337e+00 -1.877756857e+00 -2.189379251e+00 3.64 -1.260720639e+00 -1.836749232e+00 -2.149211931e+00 3.66 -1.220466570e+00 -1.796318822e+00 -2.109927262e+00 3.68 -1.180369158e+00 -1.756450237e+00 -2.071516494e+00 3.70 -1.140406306e+00 -1.717127427e+00 -2.033970054e+00 3.72 -1.100558218e+00 -1.678333743e+00 -1.997277620e+00 3.74 -1.060807852e+00 -1.640051999e+00 -1.961428205e+00 3.76 -1.021141415e+00 -1.602264534e+00 -1.926410228e+00 3.78 -9.815488937e-01 -1.564953272e+00 -1.892211579e+00 3.80 -9.420246007e-01 -1.528099791e+00 -1.858819677e+00 3.82 -9.025677459e-01 -1.491685394e+00 -1.826221528e+00 3.84 -8.631830096e-01 -1.455691183e+00 -1.794403770e+00 3.86 -8.238811068e-01 -1.420098144e+00 -1.763352725e+00 3.88 -7.846793225e-01 -1.384887232e+00 -1.733054432e+00 3.90 -7.456019977e-01 -1.350039475e+00 -1.703494693e+00 3.92 -7.066809406e-01 -1.315536077e+00 -1.674659101e+00 3.94 -6.679557349e-01 -1.281358544e+00 -1.646533076e+00 3.96 -6.294739151e-01 -1.247488811e+00 -1.619101888e+00 3.98 -5.912909803e-01 -1.213909387e+00 -1.592350686e+00 4.00 -5.534702145e-01 -1.180603514e+00 -1.566264523e+00 4.02 -5.148466725e-01 -1.147555337e+00 -1.540828373e+00 4.04 -4.618454258e-01 -1.114750094e+00 -1.516027151e+00 4.06 -4.241842475e-01 -1.082174313e+00 -1.491845734e+00 4.08 -5.828784287e-01 -1.049816027e+00 -1.468268973e+00 4.10 -5.587978855e-01 -1.017665005e+00 -1.445281709e+00 4.12 -5.250172677e-01 -9.857129864e-01 -1.422868787e+00 4.14 -4.915307535e-01 -9.539539301e-01 -1.401015066e+00 4.16 -4.584023680e-01 -9.223842665e-01 -1.379705435e+00 4.18 -4.257017112e-01 -8.910031506e-01 -1.358924820e+00 4.20 -3.935031463e-01 -8.598127103e-01 -1.338658195e+00 4.22 -3.618847633e-01 -8.288182830e-01 -1.318890596e+00 4.24 -3.309271280e-01 -7.980286328e-01 -1.299607126e+00 4.26 -3.007118370e-01 -7.672447159e-01 -1.280792969e+00 4.28 -2.713199156e-01 -7.320623474e-01 -1.262433402e+00 4.30 -2.428301042e-01 -6.783109900e-01 -1.244513803e+00 4.32 -2.153170929e-01 -5.924223010e-01 -1.227019664e+00 4.34 -1.888497685e-01 -5.443466741e-01 -1.209936606e+00 4.36 -1.634895477e-01 -5.169339953e-01 -1.193250395e+00 4.38 -1.392888646e-01 -4.900482561e-01 -1.176946951e+00 4.40 -1.191199490e-01 -4.637296166e-01 -1.161012371e+00 4.42 -1.701014492e-01 -4.380183158e-01 -1.145432945e+00 4.44 -7.161679084e-01 -4.129539926e-01 -1.130195175e+00 4.46 -4.141989535e-01 -3.885749781e-01 -1.115285796e+00 4.48 -2.013314695e-01 -3.649175800e-01 -1.100691797e+00 4.50 -1.966439849e-01 -3.420153789e-01 -1.086400445e+00 4.52 -1.920717308e-01 -3.198985586e-01 -1.072399306e+00 4.54 -1.876121162e-01 -2.985932921e-01 -1.058676270e+00 4.56 -1.832625930e-01 -2.781212029e-01 -1.045219573e+00 4.58 -1.790206566e-01 -2.584989210e-01 -1.032017820e+00 4.60 -1.748838470e-01 -2.397377464e-01 -1.019060008e+00 4.62 -1.708497494e-01 -2.218434330e-01 -1.006335544e+00 4.64 -1.669159952e-01 -2.048160986e-01 -9.938342655e-01 4.66 -1.630802621e-01 -1.886502616e-01 -9.815464591e-01 4.68 -1.593402749e-01 -1.733350035e-01 -9.694628718e-01 4.70 -1.556938056e-01 -1.588542473e-01 -9.575747251e-01 4.72 -1.521386730e-01 -1.451871412e-01 -9.458737237e-01 4.74 -1.486727431e-01 -1.323085323e-01 -9.343520616e-01 4.76 -1.452939284e-01 -1.201895131e-01 -9.230024254e-01 4.78 -1.420001871e-01 -1.087980202e-01 -9.118179938e-01 4.80 -1.387895230e-01 -9.809946667e-02 -9.007924347e-01 4.82 -1.356599840e-01 -8.805738788e-02 -8.899198987e-01 4.84 -1.326096616e-01 -7.863408122e-02 -8.791950094e-01 4.86 -1.296366895e-01 -6.979122329e-02 -8.686128513e-01 4.88 -1.267392428e-01 -6.149044923e-02 -8.581689549e-01 4.90 -1.239155366e-01 -5.369388160e-02 -8.478592792e-01 4.92 -1.208816079e-01 -4.634464935e-02 -8.369203658e-01 4.94 -1.140723566e-01 -3.938879297e-02 -8.149656168e-01 4.96 -9.434061619e-02 -3.290827388e-02 -7.422486486e-01 4.98 -5.064531534e-02 -2.278970051e-02 -4.929003074e-01 5.00 -3.207677243e-23 -3.412700621e-22 -3.392213322e-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 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