# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Al-Mn # implementation = 2025--Sharifi-H--Fe-Al-Mn--LAMMPS--ipr1 # composition = FeMn3 # 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 7.407231778e+02 nan nan 0.92 6.657681627e+02 nan nan 0.94 5.968095343e+02 nan nan 0.96 5.339460884e+02 nan nan 0.98 4.770543487e+02 8.252905738e+02 nan 1.00 4.258635126e+02 7.496338879e+02 nan 1.02 3.800114204e+02 6.796187741e+02 8.604999925e+02 1.04 3.390857177e+02 6.152576792e+02 7.828531523e+02 1.06 3.026535420e+02 5.564124154e+02 7.111499547e+02 1.08 2.702823889e+02 5.028429772e+02 6.452957593e+02 1.10 2.415542652e+02 4.542446377e+02 5.850815969e+02 1.12 2.160748076e+02 4.102757333e+02 5.302223107e+02 1.14 1.934786611e+02 3.705781452e+02 4.803857598e+02 1.16 1.734321274e+02 3.347920973e+02 4.352149141e+02 1.18 1.556338650e+02 3.025665322e+02 3.943441871e+02 1.20 1.398142481e+02 2.735661105e+02 3.574112841e+02 1.22 1.257338439e+02 2.474756431e+02 3.240655367e+02 1.24 1.131813895e+02 2.240026004e+02 2.939735093e+02 1.26 1.022296307e+02 2.028782113e+02 2.668225196e+02 1.28 9.334963956e+01 1.838575424e+02 2.423225765e+02 1.30 8.570145534e+01 1.667188696e+02 2.202071459e+02 1.32 7.873621313e+01 1.512625030e+02 2.002330584e+02 1.34 7.218703044e+01 1.373571452e+02 1.821798142e+02 1.36 6.594697886e+01 1.248816441e+02 1.658484838e+02 1.38 5.999275523e+01 1.136202730e+02 1.510603450e+02 1.40 5.433871698e+01 1.034080671e+02 1.376553776e+02 1.42 4.901064503e+01 9.411788282e+01 1.254906915e+02 1.44 4.403198834e+01 8.564866908e+01 1.144389514e+02 1.46 3.941772558e+01 7.791754728e+01 1.043868575e+02 1.48 3.517264519e+01 7.085451764e+01 9.523370062e+01 1.50 3.129199046e+01 6.439895426e+01 8.689001051e+01 1.52 2.776339122e+01 5.849781142e+01 7.927699744e+01 1.54 2.466874001e+01 5.337024159e+01 7.268519918e+01 1.56 2.230365289e+01 4.981982081e+01 6.819689832e+01 1.58 2.038938744e+01 4.712774175e+01 6.483785063e+01 1.60 1.870763349e+01 4.474146634e+01 6.186002229e+01 1.62 1.713552904e+01 4.236504051e+01 5.886341893e+01 1.64 1.561149726e+01 3.986584731e+01 5.566974104e+01 1.66 1.411167050e+01 3.721032515e+01 5.223522211e+01 1.68 1.263395559e+01 3.442060892e+01 4.859181598e+01 1.70 1.118752918e+01 3.154607443e+01 4.480856458e+01 1.72 9.786148243e+00 2.864539850e+01 4.096719384e+01 1.74 8.444066979e+00 2.577585189e+01 3.714752620e+01 1.76 7.173778075e+00 2.298747325e+01 3.341952633e+01 1.78 5.984949451e+00 2.032044480e+01 2.983970278e+01 1.80 4.884058278e+00 1.780447847e+01 2.645024860e+01 1.82 3.874468832e+00 1.545939497e+01 2.327981017e+01 1.84 2.956804926e+00 1.329633437e+01 2.034512090e+01 1.86 2.129439312e+00 1.131923603e+01 1.765300646e+01 1.88 1.389007043e+00 9.526359045e+00 1.520244961e+01 1.90 7.308892583e-01 7.911701475e+00 1.298652409e+01 1.92 1.496405385e-01 6.466244432e+00 1.099409648e+01 1.94 -3.606526936e-01 5.178988249e+00 9.211238146e+00 1.96 -8.060846290e-01 4.037804977e+00 7.622388083e+00 1.98 -1.192708682e+00 3.030113670e+00 6.211276625e+00 2.00 -1.526375121e+00 2.143387233e+00 4.961620327e+00 2.02 -1.812618572e+00 1.365516290e+00 3.857622493e+00 2.04 -2.056593093e+00 6.850555482e-01 2.884313927e+00 2.06 -2.263040582e+00 9.137653111e-02 2.027766304e+00 2.08 -2.436256564e+00 -4.252517899e-01 1.275207350e+00 2.10 -2.580091633e+00 -8.736364383e-01 6.150623020e-01 2.12 -2.697968923e+00 -1.261672528e+00 3.694254754e-02 2.14 -2.792909679e+00 -1.596381977e+00 -4.684022034e-01 2.16 -2.867563615e+00 -1.883969756e+00 -9.091552387e-01 2.18 -2.924243717e+00 -2.129896265e+00 -1.292525568e+00 2.20 -2.964974810e+00 -2.338986582e+00 -1.624894791e+00 2.22 -2.991535226e+00 -2.515525328e+00 -1.911942849e+00 2.24 -3.005484589e+00 -2.663317023e+00 -2.158726740e+00 2.26 -3.008188071e+00 -2.785738481e+00 -2.369748757e+00 2.28 -3.000838159e+00 -2.885785465e+00 -2.549017244e+00 2.30 -2.984474417e+00 -2.966114284e+00 -2.700100760e+00 2.32 -2.960001669e+00 -3.029078883e+00 -2.826176367e+00 2.34 -2.928207021e+00 -3.076763865e+00 -2.930072620e+00 2.36 -2.889776156e+00 -3.111013911e+00 -3.014307881e+00 2.38 -2.845309262e+00 -3.133459996e+00 -3.081124455e+00 2.40 -2.795336923e+00 -3.145542689e+00 -3.132518964e+00 2.42 -2.740336190e+00 -3.148532906e+00 -3.170269416e+00 2.44 -2.680746916e+00 -3.143550343e+00 -3.195959297e+00 2.46 -2.616988195e+00 -3.131579825e+00 -3.210999008e+00 2.48 -2.549474679e+00 -3.113486248e+00 -3.216645553e+00 2.50 -2.478635822e+00 -3.090038304e+00 -3.214034299e+00 2.52 -2.404927970e+00 -3.061916988e+00 -3.204190325e+00 2.54 -2.328839003e+00 -3.029711490e+00 -3.188022934e+00 2.56 -2.250893807e+00 -2.993928174e+00 -3.166338045e+00 2.58 -2.171654308e+00 -2.955016161e+00 -3.139850102e+00 2.60 -2.091713086e+00 -2.913490507e+00 -3.109192614e+00 2.62 -2.011680601e+00 -2.869422222e+00 -3.074927479e+00 2.64 -1.932166925e+00 -2.822997983e+00 -3.037553240e+00 2.66 -1.853759776e+00 -2.774541517e+00 -2.997512388e+00 2.68 -1.777001311e+00 -2.724207458e+00 -2.955197814e+00 2.70 -1.702366447e+00 -2.672110829e+00 -2.910958514e+00 2.72 -1.630245240e+00 -2.618332709e+00 -2.865104635e+00 2.74 -1.559911177e+00 -2.562926907e+00 -2.817911925e+00 2.76 -1.484951073e+00 -2.505928099e+00 -2.769625670e+00 2.78 -1.417148310e+00 -2.447361795e+00 -2.720464162e+00 2.80 -1.359438753e+00 -2.387256334e+00 -2.670621766e+00 2.82 -1.304680639e+00 -2.325656739e+00 -2.620271624e+00 2.84 -1.252677721e+00 -2.262639753e+00 -2.569571322e+00 2.86 -1.203153153e+00 -2.198328758e+00 -2.518852987e+00 2.88 -1.155718464e+00 -2.132906635e+00 -2.468750589e+00 2.90 -1.110586787e+00 -2.066624191e+00 -2.417998351e+00 2.92 -1.067409871e+00 -1.999801762e+00 -2.367162382e+00 2.94 -1.025937838e+00 -1.932822240e+00 -2.316530756e+00 2.96 -9.860081148e-01 -1.866114995e+00 -2.266181298e+00 2.98 -9.474813893e-01 -1.800131928e+00 -2.216183414e+00 3.00 -9.102406555e-01 -1.735318547e+00 -2.166598966e+00 3.02 -8.741892196e-01 -1.672083404e+00 -2.117483048e+00 3.04 -8.392481407e-01 -1.610761523e+00 -2.068884665e+00 3.06 -8.053534726e-01 -1.551608427e+00 -2.020847341e+00 3.08 -7.724535709e-01 -1.494853141e+00 -1.973409650e+00 3.10 -7.405066377e-01 -1.440549455e+00 -1.926605692e+00 3.12 -7.094785943e-01 -1.388698067e+00 -1.880465507e+00 3.14 -6.793413145e-01 -1.339231949e+00 -1.835015456e+00 3.16 -6.500712053e-01 -1.292032873e+00 -1.790278541e+00 3.18 -6.216480954e-01 -1.246949142e+00 -1.746274706e+00 3.20 -5.940543773e-01 -1.203811842e+00 -1.703021094e+00 3.22 -5.672743464e-01 -1.162448347e+00 -1.660532284e+00 3.24 -5.412936840e-01 -1.122692535e+00 -1.618820496e+00 3.26 -5.160990411e-01 -1.084391694e+00 -1.577895778e+00 3.28 -4.916776924e-01 -1.047410474e+00 -1.537766171e+00 3.30 -4.680172412e-01 -1.011632461e+00 -1.498437862e+00 3.32 -4.451053648e-01 -9.769599641e-01 -1.459915313e+00 3.34 -4.229296009e-01 -9.433126234e-01 -1.422201386e+00 3.36 -4.014771760e-01 -9.106253214e-01 -1.385297448e+00 3.38 -3.807348791e-01 -8.788458022e-01 -1.349203468e+00 3.40 -3.606889838e-01 -8.479322730e-01 -1.313918108e+00 3.42 -3.413252171e-01 -8.178511740e-01 -1.279438803e+00 3.44 -3.226287705e-01 -7.885752192e-01 -1.245761829e+00 3.46 -3.045843472e-01 -7.600817531e-01 -1.212882374e+00 3.48 -2.871762364e-01 -7.323514213e-01 -1.180770595e+00 3.50 -2.703884033e-01 -7.053671337e-01 -1.148816864e+00 3.52 -2.542045879e-01 -6.791132794e-01 -1.115360601e+00 3.54 -2.386084015e-01 -6.535751523e-01 -1.082978726e+00 3.56 -2.235834175e-01 -6.287385440e-01 -1.054022540e+00 3.58 -2.091132497e-01 -6.045894684e-01 -1.025816044e+00 3.60 -1.951816193e-01 -5.811139845e-01 -9.983483367e-01 3.62 -1.817724077e-01 -5.582980936e-01 -9.716078437e-01 3.64 -1.688696995e-01 -5.361276909e-01 -9.455823807e-01 3.66 -1.564578160e-01 -5.145885567e-01 -9.202592122e-01 3.68 -1.445213432e-01 -4.936663769e-01 -8.956251199e-01 3.70 -1.330451558e-01 -4.733467839e-01 -8.716664776e-01 3.72 -1.220144398e-01 -4.536154139e-01 -8.483693322e-01 3.74 -1.114147148e-01 -4.344579747e-01 -8.257194924e-01 3.76 -1.012318567e-01 -4.158603217e-01 -8.037026240e-01 3.78 -9.145212064e-02 -3.978085379e-01 -7.823043484e-01 3.80 -8.206216446e-02 -3.802890161e-01 -7.615103440e-01 3.82 -7.304907088e-02 -3.632885379e-01 -7.413064453e-01 3.84 -6.440036804e-02 -3.467943485e-01 -7.216787363e-01 3.86 -5.610404655e-02 -3.307942210e-01 -7.026136328e-01 3.88 -4.814857174e-02 -3.152765076e-01 -6.840979486e-01 3.90 -4.052288969e-02 -3.002301735e-01 -6.661189405e-01 3.92 -3.321642574e-02 -2.856448110e-01 -6.486643281e-01 3.94 -2.621907469e-02 -2.715106301e-01 -6.317222855e-01 3.96 -1.952118239e-02 -2.578184272e-01 -6.152814043e-01 3.98 -1.311351895e-02 -2.445595300e-01 -5.993306286e-01 4.00 -6.987244602e-03 -2.317257234e-01 -5.838591662e-01 4.02 -1.086817387e-03 -2.193091595e-01 -5.688563819e-01 4.04 5.210070613e-03 -2.073022567e-01 -5.543116801e-01 4.06 1.307477319e-02 -1.956975955e-01 -5.402143854e-01 4.08 2.130883992e-02 -1.844878164e-01 -5.265536308e-01 4.10 2.587062169e-02 -1.736655263e-01 -5.133182616e-01 4.12 3.012985765e-02 -1.632232189e-01 -5.004967611e-01 4.14 3.418097030e-02 -1.531532124e-01 -4.880772055e-01 4.16 3.803019949e-02 -1.434476079e-01 -4.760472484e-01 4.18 4.168375251e-02 -1.340982675e-01 -4.643941375e-01 4.20 4.514780848e-02 -1.250968127e-01 -4.531047606e-01 4.22 4.842851611e-02 -1.164346400e-01 -4.421657183e-01 4.24 5.153198600e-02 -1.081029515e-01 -4.315634176e-01 4.26 5.446427877e-02 -1.000833018e-01 -4.212841814e-01 4.28 5.723139067e-02 -9.217167486e-02 -4.113143674e-01 4.30 5.983923782e-02 -8.268326314e-02 -4.016404904e-01 4.32 6.229364054e-02 -6.191203705e-02 -3.922493412e-01 4.34 6.460030866e-02 -4.519644636e-02 -3.831281002e-01 4.36 6.676482858e-02 -3.974487292e-02 -3.742644376e-01 4.38 6.879265266e-02 -3.451819606e-02 -3.656466009e-01 4.40 7.044672197e-02 -2.950920966e-02 -3.572634859e-01 4.42 6.723662624e-02 -2.471083655e-02 -3.491046905e-01 4.44 4.676579089e-02 -2.011614624e-02 -3.411605515e-01 4.46 -8.420284906e-02 -1.571836718e-02 -3.334221643e-01 4.48 -1.617876904e-02 -1.151089457e-02 -3.258813873e-01 4.50 -1.543403559e-02 -7.487294653e-03 -3.185308309e-01 4.52 -1.472226614e-02 -3.641306327e-03 -3.113638342e-01 4.54 -1.404207369e-02 3.315904285e-05 -3.043744295e-01 4.56 -1.339212527e-02 3.542019086e-03 -2.975572971e-01 4.58 -1.277114034e-02 6.891022712e-03 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-1.922016406e-01 4.96 -3.878104648e-03 3.533406692e-02 -1.697920031e-01 4.98 -1.716251636e-03 1.662612363e-02 -1.070298393e-01 5.00 -1.528367879e-25 -6.422458876e-23 -6.830569240e-23 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 0.000000000e+00 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