# 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 = FePt3 # 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 4.221734190e+02 nan nan 1.16 3.908614215e+02 nan nan 1.18 3.618058557e+02 nan nan 1.20 3.348085096e+02 nan nan 1.22 3.097197735e+02 nan nan 1.24 2.864193659e+02 nan nan 1.26 2.647947112e+02 nan nan 1.28 2.447213343e+02 3.704877977e+02 4.198934211e+02 1.30 2.260634571e+02 3.450225388e+02 3.919221655e+02 1.32 2.086939990e+02 3.212518724e+02 3.658110884e+02 1.34 1.925091493e+02 2.990648268e+02 3.413956545e+02 1.36 1.774234756e+02 2.783476126e+02 3.185429825e+02 1.38 1.633574712e+02 2.589854594e+02 2.971478089e+02 1.40 1.502339816e+02 2.408720755e+02 2.771175574e+02 1.42 1.379830507e+02 2.239194466e+02 2.583626967e+02 1.44 1.265443813e+02 2.080571211e+02 2.407953218e+02 1.46 1.158627237e+02 1.932212137e+02 2.243306170e+02 1.48 1.058811714e+02 1.793447288e+02 2.088886916e+02 1.50 9.653909452e+01 1.663562387e+02 1.943958674e+02 1.52 8.777598286e+01 1.541831109e+02 1.807852181e+02 1.54 7.953774089e+01 1.427542142e+02 1.679968373e+02 1.56 7.178165977e+01 1.320020664e+02 1.559769922e+02 1.58 6.447767742e+01 1.218657878e+02 1.446758782e+02 1.60 5.760502898e+01 1.122941781e+02 1.340461901e+02 1.62 5.120846324e+01 1.032470195e+02 1.240437405e+02 1.64 4.541544025e+01 9.469349762e+01 1.146280231e+02 1.66 4.017804143e+01 8.660871788e+01 1.057608131e+02 1.68 3.544105373e+01 7.897088791e+01 9.740408235e+01 1.70 3.115459833e+01 7.176065728e+01 8.951945422e+01 1.72 2.727598108e+01 6.496129370e+01 8.206935257e+01 1.74 2.376935624e+01 5.855738224e+01 7.501845686e+01 1.76 2.060384905e+01 5.256663306e+01 6.833468285e+01 1.78 1.775131389e+01 4.709540676e+01 6.199005826e+01 1.80 1.518464521e+01 4.212136945e+01 5.596191593e+01 1.82 1.287707192e+01 3.759310938e+01 5.031077046e+01 1.84 1.080244761e+01 3.346488522e+01 4.512877836e+01 1.86 8.936125447e+00 2.969805969e+01 4.038879481e+01 1.88 7.255791874e+00 2.626086359e+01 3.606272126e+01 1.90 5.741857654e+00 2.312691797e+01 3.212084338e+01 1.92 4.377408632e+00 2.027323255e+01 2.853203664e+01 1.94 3.147926733e+00 1.767841848e+01 2.526520963e+01 1.96 2.040961810e+00 1.532160389e+01 2.229080634e+01 1.98 1.045826617e+00 1.318215872e+01 1.958167907e+01 2.00 1.533114707e-01 1.124002369e+01 1.711327292e+01 2.02 -6.446093035e-01 9.476292579e+00 1.486341025e+01 2.04 -1.355096507e+00 7.873722632e+00 1.281201141e+01 2.06 -1.984777632e+00 6.416991898e+00 1.094094682e+01 2.08 -2.540042071e+00 5.092681064e+00 9.234022271e+00 2.10 -3.027231820e+00 3.889053254e+00 7.676984005e+00 2.12 -3.452679770e+00 2.795738712e+00 6.257429954e+00 2.14 -3.822606023e+00 1.803428102e+00 4.964576937e+00 2.16 -4.142941553e+00 9.036486102e-01 3.788902846e+00 2.18 -4.419163499e+00 8.864626875e-02 2.721738583e+00 2.20 -4.656191618e+00 -6.486514835e-01 1.754915391e+00 2.22 -4.858348846e+00 -1.314640248e+00 8.805587788e-01 2.24 -5.029367107e+00 -1.915047964e+00 9.105605885e-02 2.26 -5.172423361e+00 -2.454965220e+00 -6.208521759e-01 2.28 -5.290198737e+00 -2.938896820e+00 -1.261943129e+00 2.30 -5.384953719e+00 -3.370829025e+00 -1.838415316e+00 2.32 -5.460908266e+00 -3.754307012e+00 -2.355853088e+00 2.34 -5.521975196e+00 -4.092518130e+00 -2.819248964e+00 2.36 -5.568407245e+00 -4.388376880e+00 -3.233068531e+00 2.38 -5.600527559e+00 -4.644606871e+00 -3.601342296e+00 2.40 -5.618743305e+00 -4.863814612e+00 -3.927768914e+00 2.42 -5.623532812e+00 -5.048550524e+00 -4.215810924e+00 2.44 -5.615421611e+00 -5.201355047e+00 -4.468761423e+00 2.46 -5.594949610e+00 -5.324792009e+00 -4.689765348e+00 2.48 -5.562642058e+00 -5.421474157e+00 -4.881794405e+00 2.50 -5.519003371e+00 -5.494082105e+00 -5.047593226e+00 2.52 -5.464548538e+00 -5.546260774e+00 -5.189624054e+00 2.54 -5.399871201e+00 -5.584388668e+00 -5.310032578e+00 2.56 -5.325727714e+00 -5.610406347e+00 -5.410643519e+00 2.58 -5.243102504e+00 -5.625697726e+00 -5.492981564e+00 2.60 -5.153220592e+00 -5.631549746e+00 -5.560439367e+00 2.62 -5.057489979e+00 -5.629049028e+00 -5.615571494e+00 2.64 -4.957384688e+00 -5.619028245e+00 -5.658361960e+00 2.66 -4.854305491e+00 -5.602066125e+00 -5.688821685e+00 2.68 -4.749458176e+00 -5.578526805e+00 -5.707009839e+00 2.70 -4.643775952e+00 -5.548616847e+00 -5.713067359e+00 2.72 -4.537912926e+00 -5.512441756e+00 -5.707261310e+00 2.74 -4.432275458e+00 -5.470051960e+00 -5.690033591e+00 2.76 -4.327077939e+00 -5.421475851e+00 -5.662042267e+00 2.78 -4.222405885e+00 -5.366742217e+00 -5.624180096e+00 2.80 -4.118275068e+00 -5.305896351e+00 -5.577555713e+00 2.82 -4.014680664e+00 -5.239014039e+00 -5.523430753e+00 2.84 -3.911601567e+00 -5.166216973e+00 -5.463120049e+00 2.86 -3.808997374e+00 -5.087691521e+00 -5.397876295e+00 2.88 -3.706897288e+00 -5.003711581e+00 -5.328787603e+00 2.90 -3.605406016e+00 -4.914663399e+00 -5.256711792e+00 2.92 -3.504689965e+00 -4.821059486e+00 -5.182257481e+00 2.94 -3.404957702e+00 -4.723551306e+00 -5.105806935e+00 2.96 -3.306437030e+00 -4.622919445e+00 -5.027566733e+00 2.98 -3.209351446e+00 -4.520039275e+00 -4.947617695e+00 3.00 -3.113898794e+00 -4.415824311e+00 -4.865972024e+00 3.02 -3.020234698e+00 -4.311156411e+00 -4.782615118e+00 3.04 -2.928462572e+00 -4.206817475e+00 -4.697532431e+00 3.06 -2.838630859e+00 -4.103437719e+00 -4.610724855e+00 3.08 -2.750756184e+00 -4.001470252e+00 -4.522215781e+00 3.10 -2.664955900e+00 -3.901183570e+00 -4.432053118e+00 3.12 -2.581340126e+00 -3.802651643e+00 -4.340308819e+00 3.14 -2.499947675e+00 -3.705832758e+00 -4.247077683e+00 3.16 -2.420770135e+00 -3.610624819e+00 -4.152461595e+00 3.18 -2.343771841e+00 -3.516901145e+00 -4.056543661e+00 3.20 -2.268904606e+00 -3.424538449e+00 -3.959429845e+00 3.22 -2.196117463e+00 -3.333435820e+00 -3.861256591e+00 3.24 -2.125362186e+00 -3.243525267e+00 -3.762189132e+00 3.26 -2.056595604e+00 -3.154775217e+00 -3.662419870e+00 3.28 -1.989779787e+00 -3.067188653e+00 -3.562166749e+00 3.30 -1.924880994e+00 -2.980797549e+00 -3.461671820e+00 3.32 -1.861868081e+00 -2.895655106e+00 -3.361200148e+00 3.34 -1.800710842e+00 -2.811845602e+00 -3.261038974e+00 3.36 -1.741378559e+00 -2.729561335e+00 -3.161496603e+00 3.38 -1.683838829e+00 -2.649001425e+00 -3.062899969e+00 3.40 -1.628056754e+00 -2.570340970e+00 -2.965589495e+00 3.42 -1.573994398e+00 -2.493716363e+00 -2.869910044e+00 3.44 -1.521610491e+00 -2.419218042e+00 -2.776198747e+00 3.46 -1.470860267e+00 -2.346896691e+00 -2.684858399e+00 3.48 -1.421695438e+00 -2.276769838e+00 -2.596373519e+00 3.50 -1.374064210e+00 -2.208828312e+00 -2.511118336e+00 3.52 -1.327911358e+00 -2.143042142e+00 -2.429336864e+00 3.54 -1.283178282e+00 -2.079365642e+00 -2.351149745e+00 3.56 -1.239803131e+00 -2.017741540e+00 -2.276568653e+00 3.58 -1.197720950e+00 -1.958104175e+00 -2.205515895e+00 3.60 -1.156863891e+00 -1.900381840e+00 -2.137846367e+00 3.62 -1.117161561e+00 -1.844498418e+00 -2.073369028e+00 3.64 -1.078541520e+00 -1.790374490e+00 -2.011865835e+00 3.66 -1.040930025e+00 -1.737928087e+00 -1.953107019e+00 3.68 -1.004253062e+00 -1.687075245e+00 -1.896862495e+00 3.70 -9.684377528e-01 -1.637730514e+00 -1.842909750e+00 3.72 -9.334141450e-01 -1.589807498e+00 -1.791038916e+00 3.74 -8.991174342e-01 -1.543219507e+00 -1.741055791e+00 3.76 -8.654905497e-01 -1.497880329e+00 -1.692783463e+00 3.78 -8.324870025e-01 -1.453705098e+00 -1.646063066e+00 3.80 -8.000737837e-01 -1.410611213e+00 -1.600753990e+00 3.82 -7.682340025e-01 -1.368519238e+00 -1.556733721e+00 3.84 -7.369688599e-01 -1.327353704e+00 -1.513897387e+00 3.86 -7.062984888e-01 -1.287043768e+00 -1.472156999e+00 3.88 -6.762612087e-01 -1.247523713e+00 -1.431440394e+00 3.90 -6.469108556e-01 -1.208733289e+00 -1.391689866e+00 3.92 -6.183120842e-01 -1.170617966e+00 -1.352860523e+00 3.94 -5.905338871e-01 -1.133129204e+00 -1.314918459e+00 3.96 -5.636419260e-01 -1.096224786e+00 -1.277838773e+00 3.98 -5.376906388e-01 -1.059869399e+00 -1.241603612e+00 4.00 -5.127161879e-01 -1.024035455e+00 -1.206200286e+00 4.02 -4.887312724e-01 -9.887042261e-01 -1.171619539e+00 4.04 -4.657225100e-01 -9.538672049e-01 -1.137854054e+00 4.06 -4.436506503e-01 -9.195275839e-01 -1.104897196e+00 4.08 -4.224534192e-01 -8.857016147e-01 -1.072742013e+00 4.10 -4.020504415e-01 -8.524195558e-01 -1.041380484e+00 4.12 -3.823495086e-01 -8.197259211e-01 -1.010802969e+00 4.14 -3.632534522e-01 -7.876786024e-01 -9.809978506e-01 4.16 -3.446670035e-01 -7.563467984e-01 -9.519513150e-01 4.18 -3.265031768e-01 -7.258075646e-01 -9.236472389e-01 4.20 -3.086888615e-01 -6.961411870e-01 -8.960671576e-01 4.22 -2.911694143e-01 -6.674257471e-01 -8.691902818e-01 4.24 -2.739120334e-01 -6.397314442e-01 -8.429935442e-01 4.26 -2.569077799e-01 -6.131153245e-01 -8.174516600e-01 4.28 -2.401720284e-01 -5.876170334e-01 -7.925371906e-01 4.30 -2.237432185e-01 -5.632560459e-01 -7.682206046e-01 4.32 -2.076798562e-01 -5.400305899e-01 -7.444703330e-01 4.34 -1.920558810e-01 -5.179182182e-01 -7.212528215e-01 4.36 -1.769547155e-01 -4.968777595e-01 -6.985325837e-01 4.38 -1.624625335e-01 -4.768522484e-01 -6.762722643e-01 4.40 -1.486613908e-01 -4.577723820e-01 -6.544327220e-01 4.42 -1.356229737e-01 -4.395600984e-01 -6.329731487e-01 4.44 -1.234035736e-01 -4.221319557e-01 -6.118512418e-01 4.46 -1.120407411e-01 -4.054021132e-01 -5.910234508e-01 4.48 -1.015518039e-01 -3.892848185e-01 -5.704453229e-01 4.50 -9.193416770e-02 -3.736964000e-01 -5.500719749e-01 4.52 -8.316710411e-02 -3.585568237e-01 -5.298587119e-01 4.54 -7.521459822e-02 -3.437909085e-01 -5.097618656e-01 4.56 -6.802879149e-02 -3.293293076e-01 -4.897397618e-01 4.58 -6.155359283e-02 -3.151093598e-01 -4.697539923e-01 4.60 -5.572811976e-02 -3.010758932e-01 -4.497708722e-01 4.62 -5.048974084e-02 -2.871820438e-01 -4.297631180e-01 4.64 -4.577659435e-02 -2.733901133e-01 -4.097116953e-01 4.66 -4.152954347e-02 -2.596724603e-01 -3.896077588e-01 4.68 -3.769359020e-02 -2.460123784e-01 -3.694545702e-01 4.70 -3.421879762e-02 -2.324048811e-01 -3.492692376e-01 4.72 -3.106080358e-02 -2.188572801e-01 -3.290840867e-01 4.74 -2.818099395e-02 -2.053894270e-01 -3.089474518e-01 4.76 -2.554618014e-02 -1.920334812e-01 -2.889236776e-01 4.78 -2.312851308e-02 -1.788330853e-01 -2.690921562e-01 4.80 -2.090561309e-02 -1.658418715e-01 -2.495452931e-01 4.82 -1.885916713e-02 -1.531212978e-01 -2.303854013e-01 4.84 -1.697435500e-02 -1.407378593e-01 -2.117206477e-01 4.86 -1.523922894e-02 -1.287598681e-01 -1.936603081e-01 4.88 -1.364407150e-02 -1.172540066e-01 -1.763096989e-01 4.90 -1.218078070e-02 -1.062819424e-01 -1.597652151e-01 4.92 -1.084232055e-02 -9.589729181e-02 -1.441099150e-01 4.94 -9.622261126e-03 -8.614318061e-02 -1.294100278e-01 4.96 -8.514424037e-03 -7.705058208e-02 -1.157126477e-01 4.98 -7.512669822e-03 -6.863751733e-02 -1.030447299e-01 5.00 -6.610737770e-03 -6.090910241e-02 -9.141335516e-02 5.02 -5.802192686e-03 -5.385834122e-02 -8.080709646e-02 5.04 -5.080442832e-03 -4.746750090e-02 -7.119823582e-02 5.06 -4.439298279e-03 -4.170987348e-02 -6.254553376e-02 5.08 -3.873530657e-03 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-2.926759282e-04 -2.789240741e-03 -4.172253179e-03 5.46 -2.533229347e-04 -2.413563861e-03 -3.610357032e-03 5.48 -2.193400814e-04 -2.089190683e-03 -3.125178186e-03 5.50 -1.899905234e-04 -1.809087625e-03 -2.706203413e-03 5.52 -1.646374974e-04 -1.567173086e-03 -2.344341359e-03 5.54 -1.427312485e-04 -1.358194134e-03 -2.031738058e-03 5.56 -1.237974986e-04 -1.177617459e-03 -1.761616465e-03 5.58 -1.074273223e-04 -1.021533416e-03 -1.528129758e-03 5.60 -9.326829432e-05 -8.865719610e-04 -1.326238234e-03 5.62 -8.101677352e-05 -7.698292512e-04 -1.151599082e-03 5.64 -7.041119786e-05 -6.688037770e-04 -1.000470981e-03 5.66 -6.122627116e-05 -5.813409150e-04 -8.696312639e-04 5.68 -5.326793300e-05 -5.055849048e-04 -7.563041548e-04 5.70 -4.636901367e-05 -4.399373296e-04 -6.580987171e-04 5.72 -4.038548567e-05 -3.830212718e-04 -5.729552754e-04 5.74 -3.519323361e-05 -3.336504091e-04 -4.990992135e-04 5.76 -3.068527303e-05 -2.908023931e-04 -4.350011723e-04 5.78 -2.676935748e-05 -2.535959372e-04 -3.793427895e-04 5.80 -2.336592075e-05 -2.212711087e-04 -3.309872271e-04 5.82 -2.040630783e-05 -1.931723826e-04 -2.889538288e-04 5.84 -1.783125452e-05 -1.687340776e-04 -2.523963368e-04 5.86 -1.558958091e-05 -1.474678397e-04 -2.205841709e-04 5.88 -1.363706870e-05 -1.289518864e-04 -1.928863406e-04 5.90 -1.193549634e-05 -1.128217659e-04 -1.687576218e-04 5.92 -1.045180990e-05 -9.876241540e-05 -1.477266767e-04 5.94 -9.157410209e-06 -8.650133488e-05 -1.293858428e-04 5.96 -8.027540055e-06 -7.580272025e-05 -1.133823559e-04 5.98 -7.040757051e-06 -6.646241793e-05 -9.941080214e-05 6.00 -6.178480189e-06 -5.830358560e-05 -8.720662647e-05