# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = FeMg3 # 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 2024-04-11 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 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.927031319e+02 nan nan 1.16 3.595298034e+02 nan nan 1.18 3.292332071e+02 nan nan 1.20 3.015475226e+02 nan nan 1.22 2.762335871e+02 nan nan 1.24 2.530759939e+02 nan nan 1.26 2.318807279e+02 nan nan 1.28 2.124730788e+02 3.369277980e+02 3.888466171e+02 1.30 1.946956301e+02 3.107474225e+02 3.593175267e+02 1.32 1.784063202e+02 2.866364677e+02 3.320819333e+02 1.34 1.634766465e+02 2.644193913e+02 3.069510123e+02 1.36 1.497900394e+02 2.439376169e+02 2.837532529e+02 1.38 1.372403554e+02 2.250482162e+02 2.623325268e+02 1.40 1.257306398e+02 2.076220980e+02 2.425465369e+02 1.42 1.151721310e+02 1.915420149e+02 2.242653632e+02 1.44 1.054834363e+02 1.767009151e+02 2.073699837e+02 1.46 9.658965339e+01 1.630008710e+02 1.917509424e+02 1.48 8.842274093e+01 1.503523494e+02 1.773073861e+02 1.50 8.092151342e+01 1.386734499e+02 1.639465396e+02 1.52 7.403060325e+01 1.278890346e+02 1.515833741e+02 1.54 6.769987569e+01 1.179299027e+02 1.401402097e+02 1.56 6.188383092e+01 1.087321134e+02 1.295462080e+02 1.58 5.654102551e+01 1.002366453e+02 1.197367425e+02 1.60 5.163351648e+01 9.238873182e+01 1.106526291e+02 1.62 4.712638794e+01 8.513833645e+01 1.022394535e+02 1.64 4.298744480e+01 7.843944410e+01 9.444658853e+01 1.66 3.918703280e+01 7.224949513e+01 8.722763926e+01 1.68 3.569788012e+01 6.652910393e+01 8.054004184e+01 1.70 3.249491011e+01 6.124186688e+01 7.434454900e+01 1.72 2.955503881e+01 5.635419738e+01 6.860493761e+01 1.74 2.685700658e+01 5.183517837e+01 6.328769352e+01 1.76 2.438124185e+01 4.765642010e+01 5.836176265e+01 1.78 2.210973407e+01 4.379191596e+01 5.379837782e+01 1.80 2.002588768e+01 4.021785794e+01 4.957093841e+01 1.82 1.811435859e+01 3.691241894e+01 4.565485151e+01 1.84 1.636091616e+01 3.385551791e+01 4.202733738e+01 1.86 1.475235986e+01 3.102864433e+01 3.866721259e+01 1.88 1.327649291e+01 2.841472652e+01 3.555472004e+01 1.90 1.192212543e+01 2.599802257e+01 3.267142269e+01 1.92 1.067907456e+01 2.376399416e+01 3.000014694e+01 1.94 9.538136544e+00 2.169916803e+01 2.752497916e+01 1.96 8.491015467e+00 1.979100310e+01 2.523125986e+01 1.98 7.530223529e+00 1.802779799e+01 2.310555377e+01 2.00 6.648969354e+00 1.639863668e+01 2.113557825e+01 2.02 5.841047354e+00 1.489335855e+01 1.931009841e+01 2.04 5.100749214e+00 1.350254139e+01 1.761881253e+01 2.06 4.422795998e+00 1.221748443e+01 1.605223491e+01 2.08 3.802297015e+00 1.103018123e+01 1.460159206e+01 2.10 3.234726737e+00 9.933282406e+00 1.325872862e+01 2.12 2.715907565e+00 8.920049989e+00 1.201604229e+01 2.14 2.241990036e+00 7.984306817e+00 1.086644367e+01 2.16 1.809425312e+00 7.120385828e+00 9.803330890e+00 2.18 1.414938961e+00 6.323073952e+00 8.820565085e+00 2.20 1.055500523e+00 5.587557817e+00 7.912432865e+00 2.22 7.282993043e-01 4.909371214e+00 7.073614638e+00 2.24 4.307246435e-01 4.284357489e+00 6.299142162e+00 2.26 1.603512041e-01 3.708647161e+00 5.584369403e+00 2.28 -8.507173655e-02 3.178643559e+00 4.924946515e+00 2.30 -3.076172631e-01 2.691017390e+00 4.316803556e+00 2.32 -5.091980917e-01 2.242687953e+00 3.756132048e+00 2.34 -6.915732004e-01 1.830810293e+00 3.239371619e+00 2.36 -8.563508713e-01 1.452750365e+00 2.763199276e+00 2.38 -1.004992819e+00 1.106064590e+00 2.324520581e+00 2.40 -1.138820732e+00 7.884801120e-01 1.920469768e+00 2.42 -1.258970849e+00 4.978762825e-01 1.548407335e+00 2.44 -1.366351990e+00 2.322712690e-01 1.205918083e+00 2.46 -1.461790626e+00 -1.019116469e-02 8.908014144e-01 2.48 -1.546056676e+00 -2.312503116e-01 6.010531279e-01 2.50 -1.619868525e+00 -4.325239879e-01 3.348391089e-01 2.52 -1.683898882e+00 -6.155199045e-01 9.047236548e-02 2.54 -1.738780972e+00 -7.816393935e-01 -1.336142231e-01 2.56 -1.785117294e+00 -9.321805493e-01 -3.388735566e-01 2.58 -1.823483093e+00 -1.068342644e+00 -5.266599334e-01 2.60 -1.854434228e+00 -1.191232045e+00 -6.982378385e-01 2.62 -1.878509533e+00 -1.301866187e+00 -8.547841950e-01 2.64 -1.896233465e+00 -1.401115869e+00 -9.973924924e-01 2.66 -1.908114742e+00 -1.489721593e+00 -1.127071799e+00 2.68 -1.914645416e+00 -1.568385056e+00 -1.244753079e+00 2.70 -1.916298054e+00 -1.637773080e+00 -1.351263989e+00 2.72 -1.913522854e+00 -1.698517929e+00 -1.447276966e+00 2.74 -1.906749331e+00 -1.751218019e+00 -1.533409892e+00 2.76 -1.896454494e+00 -1.796439059e+00 -1.610251296e+00 2.78 -1.882945611e+00 -1.834715247e+00 -1.678362460e+00 2.80 -1.866467059e+00 -1.866552721e+00 -1.738280032e+00 2.82 -1.847262274e+00 -1.892429381e+00 -1.790517089e+00 2.84 -1.825575410e+00 -1.912798885e+00 -1.835564262e+00 2.86 -1.801652594e+00 -1.928092041e+00 -1.873889448e+00 2.88 -1.775675324e+00 -1.938717997e+00 -1.905937368e+00 2.90 -1.747647631e+00 -1.945064653e+00 -1.932129622e+00 2.92 -1.717610699e+00 -1.947498395e+00 -1.952865684e+00 2.94 -1.685681603e+00 -1.946371709e+00 -1.968524725e+00 2.96 -1.652042142e+00 -1.942023042e+00 -1.979466774e+00 2.98 -1.616927258e+00 -1.934719635e+00 -1.986038347e+00 3.00 -1.580607997e+00 -1.924729487e+00 -1.988567157e+00 3.02 -1.543373082e+00 -1.912318156e+00 -1.987366982e+00 3.04 -1.505510851e+00 -1.897655082e+00 -1.982736366e+00 3.06 -1.467293695e+00 -1.880901302e+00 -1.974958583e+00 3.08 -1.428966486e+00 -1.862207954e+00 -1.964338813e+00 3.10 -1.390739633e+00 -1.841693536e+00 -1.951155801e+00 3.12 -1.352786499e+00 -1.819465050e+00 -1.935568891e+00 3.14 -1.315244275e+00 -1.795624674e+00 -1.917739579e+00 3.16 -1.278217161e+00 -1.770184895e+00 -1.897834205e+00 3.18 -1.241780717e+00 -1.743146644e+00 -1.876024261e+00 3.20 -1.205986626e+00 -1.714544605e+00 -1.852486577e+00 3.22 -1.170867409e+00 -1.684446821e+00 -1.827366417e+00 3.24 -1.136440960e+00 -1.652954532e+00 -1.800672690e+00 3.26 -1.102714873e+00 -1.620201322e+00 -1.772421683e+00 3.28 -1.069690500e+00 -1.586350668e+00 -1.742679626e+00 3.30 -1.037366595e+00 -1.551591218e+00 -1.711557299e+00 3.32 -1.005742306e+00 -1.516129576e+00 -1.679202928e+00 3.34 -9.748189549e-01 -1.480181059e+00 -1.645793246e+00 3.36 -9.446022194e-01 -1.443959516e+00 -1.611523237e+00 3.38 -9.150999212e-01 -1.407667615e+00 -1.576595443e+00 3.40 -8.863221691e-01 -1.371488718e+00 -1.541209833e+00 3.42 -8.582787399e-01 -1.335582139e+00 -1.505555158e+00 3.44 -8.309785241e-01 -1.300079506e+00 -1.469802469e+00 3.46 -8.044256233e-01 -1.265085343e+00 -1.434101089e+00 3.48 -7.786201120e-01 -1.230678607e+00 -1.398577025e+00 3.50 -7.535571132e-01 -1.196915593e+00 -1.363332720e+00 3.52 -7.292286535e-01 -1.163833423e+00 -1.328452581e+00 3.54 -7.056221021e-01 -1.131453644e+00 -1.294000940e+00 3.56 -6.827225779e-01 -1.099785624e+00 -1.260029619e+00 3.58 -6.605132327e-01 -1.068829570e+00 -1.226580677e+00 3.60 -6.389758782e-01 -1.038579085e+00 -1.193689666e+00 3.62 -6.180915247e-01 -1.009023259e+00 -1.161388014e+00 3.64 -5.978408477e-01 -9.801483435e-01 -1.129704311e+00 3.66 -5.782045790e-01 -9.519390572e-01 -1.098664477e+00 3.68 -5.591638125e-01 -9.243796089e-01 -1.068291036e+00 3.70 -5.407002185e-01 -8.974545093e-01 -1.038601896e+00 3.72 -5.227961682e-01 -8.711492299e-01 -1.009609139e+00 3.74 -5.054347838e-01 -8.454507522e-01 -9.813182432e-01 3.76 -4.885999358e-01 -8.203480239e-01 -9.537279996e-01 3.78 -4.722762080e-01 -7.958323090e-01 -9.268311358e-01 3.80 -4.564488519e-01 -7.718973937e-01 -9.006154729e-01 3.82 -4.411037407e-01 -7.485395895e-01 -8.750653490e-01 3.84 -4.262273319e-01 -7.257574785e-01 -8.501630454e-01 3.86 -4.118066381e-01 -7.035513713e-01 -8.258900198e-01 3.88 -3.978292047e-01 -6.819224992e-01 -8.022278490e-01 3.90 -3.842830898e-01 -6.608720300e-01 -7.791588586e-01 3.92 -3.711565681e-01 -6.403997082e-01 -7.566660094e-01 3.94 -3.584392478e-01 -6.205044067e-01 -7.347350045e-01 3.96 -3.461202156e-01 -6.011812456e-01 -7.133511592e-01 3.98 -3.341892787e-01 -5.824229551e-01 -6.925015012e-01 4.00 -3.226365697e-01 -5.642195539e-01 -6.721740263e-01 4.02 -3.114524941e-01 -5.465587461e-01 -6.523575273e-01 4.04 -3.006276808e-01 -5.294264913e-01 -6.330414262e-01 4.06 -2.901529367e-01 -5.128076330e-01 -6.142156208e-01 4.08 -2.800192106e-01 -4.966864890e-01 -5.958703534e-01 4.10 -2.702175641e-01 -4.810463516e-01 -5.779961020e-01 4.12 -2.607391541e-01 -4.658740270e-01 -5.605834954e-01 4.14 -2.515752213e-01 -4.511534833e-01 -5.436232504e-01 4.16 -2.427170878e-01 -4.368706480e-01 -5.271061309e-01 4.18 -2.341561590e-01 -4.230122162e-01 -5.110229266e-01 4.20 -2.258832428e-01 -4.095656426e-01 -4.953644524e-01 4.22 -2.178914436e-01 -3.965190946e-01 -4.801215656e-01 4.24 -2.101716120e-01 -3.838613818e-01 -4.652852033e-01 4.26 -2.027155736e-01 -3.715818769e-01 -4.508464377e-01 4.28 -1.955152804e-01 -3.596704354e-01 -4.367965487e-01 4.30 -1.885628194e-01 -3.481173210e-01 -4.231271101e-01 4.32 -1.818504195e-01 -3.369131381e-01 -4.098300860e-01 4.34 -1.753704576e-01 -3.260487754e-01 -3.968979263e-01 4.36 -1.691152885e-01 -3.155153588e-01 -3.843236524e-01 4.38 -1.630779740e-01 -3.053042129e-01 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-2.332407884e-02 -3.417979059e-02 5.82 -6.695500663e-03 -2.242660346e-02 -3.294829862e-02 5.84 -6.349033098e-03 -2.156014059e-02 -3.174780482e-02 5.86 -6.022619986e-03 -2.072218224e-02 -3.057645116e-02 5.88 -5.714979563e-03 -1.991035257e-02 -2.943239887e-02 5.90 -5.424764610e-03 -1.912241199e-02 -2.831383605e-02 5.92 -5.150597657e-03 -1.835625939e-02 -2.721898751e-02 5.94 -4.891103379e-03 -1.760993381e-02 -2.614612740e-02 5.96 -4.644936925e-03 -1.688161672e-02 -2.509358924e-02 5.98 -4.410807618e-03 -1.616963578e-02 -2.405975246e-02 6.00 -4.187497999e-03 -1.547247065e-02 -2.304314531e-02