# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Mendelev-M-I--Ni-Co-Cr # implementation = 2024--Mendelev-M-I--Ni-Co-Cr--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 2024-11-27 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 3.769038719e+05 nan nan 0.96 3.154244803e+05 nan nan 0.98 2.588680692e+05 nan nan 1.00 2.067518840e+05 nan nan 1.02 1.607534506e+05 nan nan 1.04 1.252414552e+05 3.358229413e+05 nan 1.06 9.795955692e+04 2.823124431e+05 3.626186717e+05 1.08 7.690653968e+04 2.326976222e+05 3.085904352e+05 1.10 6.058994752e+04 1.866836125e+05 2.584240918e+05 1.12 4.789102167e+04 1.481456674e+05 2.117808144e+05 1.14 3.796708117e+04 1.179652590e+05 1.694202363e+05 1.16 3.018042869e+04 9.423977250e+04 1.354756409e+05 1.18 2.404648497e+04 7.551971695e+04 1.086759572e+05 1.20 1.919542589e+04 6.069580706e+04 8.744213009e+04 1.22 1.534388246e+04 4.891583258e+04 7.056007120e+04 1.24 1.227381929e+04 3.952242202e+04 5.709253674e+04 1.26 9.816860361e+03 3.200655140e+04 4.631323151e+04 1.28 7.842523625e+03 2.597274454e+04 3.765741015e+04 1.30 6.262592450e+03 2.111262774e+04 3.068434443e+04 1.32 5.010053749e+03 1.718484948e+04 2.504898608e+04 1.34 4.014720232e+03 1.399994518e+04 2.048035625e+04 1.36 3.221972459e+03 1.140875912e+04 1.676493665e+04 1.38 2.589237616e+03 9.293523270e+03 1.373393336e+04 1.40 2.083223364e+03 7.561035677e+03 1.125350957e+04 1.42 1.677807783e+03 6.152221606e+03 9.217203999e+03 1.44 1.352447593e+03 5.013600502e+03 7.540131105e+03 1.46 1.090954414e+03 4.091501232e+03 6.168306222e+03 1.48 8.805185440e+02 3.343327177e+03 5.053233584e+03 1.50 7.109625106e+02 2.735168394e+03 4.145128227e+03 1.52 5.741794422e+02 2.239962077e+03 3.404237578e+03 1.54 4.637138017e+02 1.836065613e+03 2.798744095e+03 1.56 3.744174468e+02 1.506137214e+03 2.303121092e+03 1.58 3.021758941e+02 1.236244233e+03 1.896839002e+03 1.60 2.436969815e+02 1.015181814e+03 1.563343816e+03 1.62 1.963338301e+02 8.339265363e+02 1.289261827e+03 1.64 1.579318061e+02 6.851792853e+02 1.063760747e+03 1.66 1.267850413e+02 5.630134064e+02 8.780414269e+02 1.68 1.015219665e+02 4.626065005e+02 7.249450754e+02 1.70 8.103203705e+01 3.800282822e+02 5.986360934e+02 1.72 6.441435633e+01 3.120721785e+02 4.943458912e+02 1.74 5.093757284e+01 2.561199663e+02 4.081728039e+02 1.76 4.000903796e+01 2.100323629e+02 3.369216363e+02 1.78 3.115181129e+01 1.720594302e+02 2.779742685e+02 1.80 2.398745105e+01 1.407668991e+02 2.291858908e+02 1.82 1.821248552e+01 1.149670692e+02 1.887858544e+02 1.84 1.357199337e+01 9.368361519e+01 1.553233179e+02 1.86 9.851758156e+00 7.612547239e+01 1.276130339e+02 1.88 6.873882366e+00 6.164603183e+01 1.046693643e+02 1.90 4.491653086e+00 4.971376541e+01 8.567276499e+01 1.92 2.585025497e+00 3.988920565e+01 6.994227110e+01 1.94 1.056676842e+00 3.180826369e+01 5.691264516e+01 1.96 -1.713996662e-01 2.516538278e+01 4.611555564e+01 1.98 -1.160943448e+00 1.970436595e+01 3.716400897e+01 2.00 -1.960424969e+00 1.521207522e+01 2.973917195e+01 2.02 -2.607760554e+00 1.151281902e+01 2.357903611e+01 2.04 -3.132477191e+00 8.462652144e+00 1.846812131e+01 2.06 -3.557366392e+00 5.944115265e+00 1.422871782e+01 2.08 -3.899428874e+00 3.862010652e+00 1.071412837e+01 2.10 -4.169814067e+00 2.139664604e+00 7.803186028e+00 2.12 -4.374078505e+00 7.154871627e-01 5.395870747e+00 2.14 -4.516330012e+00 -4.600568336e-01 3.409924201e+00 2.16 -4.605454454e+00 -1.427011123e+00 1.778314944e+00 2.18 -4.655865970e+00 -2.218069872e+00 4.455277845e-01 2.20 -4.681008135e+00 -2.860324200e+00 -6.374558827e-01 2.22 -4.690852838e+00 -3.376650510e+00 -1.514176213e+00 2.24 -4.692031968e+00 -3.786759874e+00 -2.222614919e+00 2.26 -4.688618638e+00 -4.107924524e+00 -2.795104832e+00 2.28 -4.683326995e+00 -4.355264786e+00 -3.258336976e+00 2.30 -4.677581115e+00 -4.541591789e+00 -3.633836534e+00 2.32 -4.671595534e+00 -4.676797494e+00 -3.939015946e+00 2.34 -4.664902959e+00 -4.768798690e+00 -4.187728646e+00 2.36 -4.656542216e+00 -4.826906660e+00 -4.390438528e+00 2.38 -4.645221873e+00 -4.861163958e+00 -4.554200949e+00 2.40 -4.629520421e+00 -4.879100837e+00 -4.682778144e+00 2.42 -4.608069308e+00 -4.885157910e+00 -4.779802992e+00 2.44 -4.579757235e+00 -4.881852103e+00 -4.851032123e+00 2.46 -4.543910662e+00 -4.870847096e+00 -4.901784965e+00 2.48 -4.500386638e+00 -4.853314131e+00 -4.935444449e+00 2.50 -4.449635261e+00 -4.829715924e+00 -4.953976381e+00 2.52 -4.392735126e+00 -4.799394424e+00 -4.958475934e+00 2.54 -4.331260911e+00 -4.761206352e+00 -4.949893878e+00 2.56 -4.267019298e+00 -4.715239501e+00 -4.929540194e+00 2.58 -4.201886680e+00 -4.662679485e+00 -4.899085697e+00 2.60 -4.137542144e+00 -4.605307106e+00 -4.860483234e+00 2.62 -4.075107419e+00 -4.545129373e+00 -4.815852341e+00 2.64 -4.015016105e+00 -4.484106987e+00 -4.767304686e+00 2.66 -3.957043773e+00 -4.423959437e+00 -4.716772332e+00 2.68 -3.900330319e+00 -4.366054071e+00 -4.665861250e+00 2.70 -3.843806864e+00 -4.311354442e+00 -4.615709237e+00 2.72 -3.786655762e+00 -4.260411770e+00 -4.566945073e+00 2.74 -3.728249111e+00 -4.213387936e+00 -4.519703085e+00 2.76 -3.668054639e+00 -4.170103212e+00 -4.473488496e+00 2.78 -3.605550127e+00 -4.130128402e+00 -4.426986149e+00 2.80 -3.540375375e+00 -4.092865274e+00 -4.378279341e+00 2.82 -3.472683371e+00 -4.057585738e+00 -4.326137512e+00 2.84 -3.403059899e+00 -4.023506486e+00 -4.270304157e+00 2.86 -3.332363782e+00 -3.989878514e+00 -4.211269946e+00 2.88 -3.261576772e+00 -3.956039043e+00 -4.150009411e+00 2.90 -3.191683195e+00 -3.921446882e+00 -4.087749689e+00 2.92 -3.123485343e+00 -3.885701501e+00 -4.025789299e+00 2.94 -3.057464895e+00 -3.848475209e+00 -3.965361498e+00 2.96 -2.993814664e+00 -3.809330280e+00 -3.907537047e+00 2.98 -2.932492914e+00 -3.767768791e+00 -3.853161708e+00 3.00 -2.873278884e+00 -3.723318626e+00 -3.802820127e+00 3.02 -2.815828489e+00 -3.675543787e+00 -3.756732774e+00 3.04 -2.759727562e+00 -3.624111482e+00 -3.714638377e+00 3.06 -2.704546378e+00 -3.569043565e+00 -3.675862717e+00 3.08 -2.649894654e+00 -3.510742517e+00 -3.639417716e+00 3.10 -2.595450377e+00 -3.449848560e+00 -3.604094020e+00 3.12 -2.540976662e+00 -3.387111153e+00 -3.568594898e+00 3.14 -2.486331427e+00 -3.323284972e+00 -3.531826056e+00 3.16 -2.431468951e+00 -3.259065026e+00 -3.492997788e+00 3.18 -2.376432590e+00 -3.195037523e+00 -3.451591989e+00 3.20 -2.321338144e+00 -3.131628878e+00 -3.407333148e+00 3.22 -2.266347900e+00 -3.069125936e+00 -3.360164655e+00 3.24 -2.211647885e+00 -3.007702710e+00 -3.310224999e+00 3.26 -2.157442504e+00 -2.947443766e+00 -3.257769823e+00 3.28 -2.103937963e+00 -2.888364553e+00 -3.203074610e+00 3.30 -2.051321881e+00 -2.830428943e+00 -3.146434789e+00 3.32 -1.999745943e+00 -2.773566280e+00 -3.088174648e+00 3.34 -1.949314363e+00 -2.717696459e+00 -3.028645781e+00 3.36 -1.900089573e+00 -2.662744327e+00 -2.968216551e+00 3.38 -1.852115657e+00 -2.608642378e+00 -2.907254369e+00 3.40 -1.805422727e+00 -2.555332309e+00 -2.846102983e+00 3.42 -1.760025713e+00 -2.502765990e+00 -2.785066476e+00 3.44 -1.715924897e+00 -2.450905826e+00 -2.724413992e+00 3.46 -1.673108827e+00 -2.399724533e+00 -2.664362403e+00 3.48 -1.631559909e+00 -2.349204369e+00 -2.605053019e+00 3.50 -1.591256491e+00 -2.299335879e+00 -2.546572106e+00 3.52 -1.552167830e+00 -2.250116251e+00 -2.488999673e+00 3.54 -1.514253136e+00 -2.201547390e+00 -2.432414581e+00 3.56 -1.477461904e+00 -2.153633849e+00 -2.376891610e+00 3.58 -1.441734440e+00 -2.106380787e+00 -2.322499144e+00 3.60 -1.407002552e+00 -2.059792128e+00 -2.269297425e+00 3.62 -1.373190443e+00 -2.013869149e+00 -2.217337305e+00 3.64 -1.340215773e+00 -1.968609722e+00 -2.166659435e+00 3.66 -1.307990926e+00 -1.924008470e+00 -2.117293827e+00 3.68 -1.276424451e+00 -1.880058134e+00 -2.069259746e+00 3.70 -1.245422708e+00 -1.836752163e+00 -2.022565865e+00 3.72 -1.214891690e+00 -1.794086604e+00 -1.977210650e+00 3.74 -1.184739035e+00 -1.752060546e+00 -1.933182916e+00 3.76 -1.154876227e+00 -1.710676387e+00 -1.890462529e+00 3.78 -1.125220981e+00 -1.669940030e+00 -1.849021196e+00 3.80 -1.095699793e+00 -1.629860974e+00 -1.808823336e+00 3.82 -1.066250682e+00 -1.590452290e+00 -1.769826972e+00 3.84 -1.036826093e+00 -1.551730460e+00 -1.731984644e+00 3.86 -1.007395953e+00 -1.513715054e+00 -1.695244298e+00 3.88 -9.779509087e-01 -1.476428216e+00 -1.659550148e+00 3.90 -9.485056930e-01 -1.439893953e+00 -1.624843485e+00 3.92 -9.191026394e-01 -1.404137179e+00 -1.591063424e+00 3.94 -8.898132969e-01 -1.369182509e+00 -1.558147579e+00 3.96 -8.607222824e-01 -1.335052757e+00 -1.526032661e+00 3.98 -8.319125553e-01 -1.301767122e+00 -1.494654999e+00 4.00 -8.034666099e-01 -1.269339018e+00 -1.463950977e+00 4.02 -7.754681975e-01 -1.237773542e+00 -1.433857409e+00 4.04 -7.480031281e-01 -1.207064513e+00 -1.404311841e+00 4.06 -7.211590859e-01 -1.177191075e+00 -1.375252810e+00 4.08 -6.950245147e-01 -1.148113827e+00 -1.346620057e+00 4.10 -6.696865080e-01 -1.119770416e+00 -1.318354736e+00 4.12 -6.452275056e-01 -1.092070607e+00 -1.290399625e+00 4.14 -6.217213003e-01 -1.064890737e+00 -1.262699365e+00 4.16 -5.992277788e-01 -1.038067549e+00 -1.235200771e+00 4.18 -5.777860968e-01 -1.011401266e+00 -1.207853237e+00 4.20 -5.574082200e-01 -9.847178810e-01 -1.180609272e+00 4.22 -5.380685878e-01 -9.579078123e-01 -1.153425217e+00 4.24 -5.196965273e-01 -9.309165361e-01 -1.126262181e+00 4.26 -5.021618676e-01 -9.037337635e-01 -1.099087216e+00 4.28 -4.852667881e-01 -8.763839802e-01 -1.071874455e+00 4.30 -4.687268321e-01 -8.489182248e-01 -1.044605709e+00 4.32 -4.521950815e-01 -8.214070217e-01 -1.017270920e+00 4.34 -4.353967356e-01 -7.939343507e-01 -9.898685238e-01 4.36 -4.181688491e-01 -7.665925811e-01 -9.624057078e-01 4.38 -4.004566218e-01 -7.394782421e-01 -9.348985412e-01 4.40 -3.822848328e-01 -7.126885190e-01 -9.073719669e-01 4.42 -3.636606874e-01 -6.863184412e-01 -8.798596455e-01 4.44 -3.447378751e-01 -6.604587273e-01 -8.524036225e-01 4.46 -3.257495579e-01 -6.351939773e-01 -8.250538004e-01 4.48 -3.069173267e-01 -6.106012604e-01 -7.978672457e-01 4.50 -2.884733758e-01 -5.867494675e-01 -7.709072472e-01 4.52 -2.705513922e-01 -5.636979827e-01 -7.442421194e-01 4.54 -2.530897823e-01 -5.414969301e-01 -7.179437669e-01 4.56 -2.360900760e-01 -5.201857379e-01 -6.920860394e-01 4.58 -2.196130500e-01 -4.997940269e-01 -6.667427130e-01 4.60 -2.037417050e-01 -4.803396337e-01 -6.419850208e-01 4.62 -1.885563868e-01 -4.618301643e-01 -6.178794085e-01 4.64 -1.741435833e-01 -4.442596855e-01 -5.944839677e-01 4.66 -1.606645212e-01 -4.276107708e-01 -5.718456777e-01 4.68 -1.482203167e-01 -4.118524392e-01 -5.499960060e-01 4.70 -1.367581990e-01 -3.969356975e-01 -5.289474456e-01 4.72 -1.264562352e-01 -3.827983981e-01 -5.086878806e-01 4.74 -1.174352818e-01 -3.693591169e-01 -4.891771348e-01 4.76 -1.097450897e-01 -3.565093569e-01 -4.703385294e-01 4.78 -1.033814559e-01 -3.441219624e-01 -4.520566327e-01 4.80 -9.841874754e-02 -3.320446990e-01 -4.341674208e-01 4.82 -9.458925572e-02 -3.200932938e-01 -4.164572694e-01 4.84 -9.147724745e-02 -3.080363893e-01 -3.987289925e-01 4.86 -8.876913406e-02 -2.958024332e-01 -3.808512489e-01 4.88 -8.623083170e-02 -2.833739472e-01 -3.627538455e-01 4.90 -8.369006709e-02 -2.707504462e-01 -3.444286393e-01 4.92 -8.102253105e-02 -2.579695712e-01 -3.259040866e-01 4.94 -7.814217581e-02 -2.451343108e-01 -3.071805412e-01 4.96 -7.498736255e-02 -2.320969753e-01 -2.883666388e-01 4.98 -7.149839407e-02 -2.188453404e-01 -2.696240815e-01 5.00 -6.778144275e-02 -2.055330853e-01 -2.511171598e-01 5.02 -6.394175994e-02 -1.923028750e-01 -2.329751566e-01 5.04 -6.005238107e-02 -1.792289484e-01 -2.153806066e-01 5.06 -5.616338131e-02 -1.665602168e-01 -1.983352504e-01 5.08 -5.230915448e-02 -1.541677011e-01 -1.816307142e-01 5.10 -4.851400414e-02 -1.419091985e-01 -1.653075384e-01 5.12 -4.479629977e-02 -1.298127995e-01 -1.496981507e-01 5.14 -4.117141982e-02 -1.178907419e-01 -1.350497519e-01 5.16 -3.765367819e-02 -1.060227871e-01 -1.216344818e-01 5.18 -3.425740954e-02 -9.417878427e-02 -1.094126335e-01 5.20 -3.099737184e-02 -8.236277435e-02 -9.777000183e-02 5.22 -2.788861069e-02 -7.074210524e-02 -8.638134221e-02 5.24 -2.494591938e-02 -5.953786913e-02 -7.510147147e-02 5.26 -2.218302022e-02 -4.890315442e-02 -6.390640402e-02 5.28 -1.961158669e-02 -3.901455240e-02 -5.284610462e-02 5.30 -1.724022153e-02 -3.003239082e-02 -4.197649591e-02 5.32 -1.507350370e-02 -2.204405730e-02 -3.166629605e-02 5.34 -1.311121528e-02 -1.508164326e-02 -2.224915029e-02 5.36 -1.134785989e-02 -9.136118394e-03 -1.391962966e-02 5.38 -9.772630124e-03 -4.168592980e-03 -6.768879850e-03 5.40 -8.371288600e-03 -1.192178960e-04 -8.126557397e-04 5.42 -7.129628707e-03 3.085822097e-03 3.986786986e-03 5.44 -6.034210278e-03 5.528847136e-03 7.703727471e-03 5.46 -5.072354868e-03 7.296446586e-03 1.043594445e-02 5.48 -4.232125709e-03 8.476219906e-03 1.229479547e-02 5.50 -3.502299868e-03 9.154293222e-03 1.339775005e-02 5.52 -2.872336370e-03 9.413450826e-03 1.386284515e-02 5.54 -2.332343146e-03 9.331753994e-03 1.380463835e-02 5.56 -1.873044926e-03 8.981546665e-03 1.333132209e-02 5.58 -1.485753552e-03 8.428769627e-03 1.254273509e-02 5.60 -1.162341691e-03 7.732522605e-03 1.152906517e-02 5.62 -8.952204800e-04 6.944827770e-03 1.037008530e-02 5.64 -6.773213027e-04 6.110559248e-03 9.134801933e-03 5.66 -5.020815936e-04 5.267511649e-03 7.881424233e-03 5.68 -3.634343447e-04 4.446587066e-03 6.657585635e-03 5.70 -2.558007857e-04 3.672084544e-03 5.500766274e-03 5.72 -1.740855532e-04 2.962079264e-03 4.438877697e-03 5.74 -1.136735368e-04 2.328880700e-03 3.490980354e-03 5.76 -7.042747431e-05 1.779560159e-03 2.668110580e-03 5.78 -4.068528107e-05 1.316538483e-03 1.974197697e-03 5.80 -2.125601509e-05 9.382245546e-04 1.407053996e-03 5.82 -9.413311002e-06 6.396946496e-04 9.594210939e-04 5.84 -2.885052052e-06 4.134017488e-04 6.200558858e-04 5.86 1.620098067e-07 2.499027796e-04 3.748382481e-04 5.88 1.144031064e-06 1.385904371e-04 2.078810589e-04 5.90 1.089650803e-06 6.841479162e-05 1.026211284e-04 5.92 6.788150139e-07 2.857839140e-05 4.286741114e-05 5.94 2.923577707e-07 9.187012764e-06 1.378050170e-05 5.96 7.390005827e-08 1.836644340e-06 2.754965837e-06 5.98 5.681961630e-09 1.157143977e-07 1.735715939e-07 6.00 2.189501982e-15 4.384070331e-14 6.385440844e-14