# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Lee-B-J-Lee-T-H-Kim-S-J--Fe-N # implementation = 2006--Lee-B-J--Fe-N--LAMMPS--ipr1 # composition = FeN3 # 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 2022-05-24 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 4.541943706e+02 nan nan 0.74 4.090571735e+02 nan nan 0.76 3.693523307e+02 nan nan 0.78 3.343436851e+02 3.643902680e+02 nan 0.80 3.033991000e+02 3.293855770e+02 nan 0.82 2.759758710e+02 2.981964954e+02 4.273043902e+02 0.84 2.516080955e+02 2.703779183e+02 3.884360080e+02 0.86 2.298957599e+02 2.455369893e+02 3.537815881e+02 0.88 2.104953301e+02 2.233272778e+02 3.228377255e+02 0.90 1.931116539e+02 2.034435182e+02 2.951626111e+02 0.92 1.774910015e+02 1.856168763e+02 2.703686901e+02 0.94 1.634150925e+02 1.696107081e+02 2.481161307e+02 0.96 1.506959765e+02 1.552167702e+02 2.281070274e+02 0.98 1.391716481e+02 1.422518452e+02 2.100802697e+02 1.00 1.287022955e+02 1.305547444e+02 1.938070083e+02 1.02 1.191670924e+02 1.199836510e+02 1.790866572e+02 1.04 1.104614566e+02 1.104137709e+02 1.657433740e+02 1.06 1.024947088e+02 1.017352587e+02 1.536229657e+02 1.08 9.518807342e+01 9.385138984e+01 1.425901733e+02 1.10 8.847297239e+01 8.667695158e+01 1.325262895e+02 1.12 8.228956941e+01 8.013682830e+01 1.233270727e+02 1.14 7.658552779e+01 7.416475926e+01 1.149009214e+02 1.16 7.131495097e+01 6.870224839e+01 1.071672770e+02 1.18 6.643747864e+01 6.369760840e+01 1.000552285e+02 1.20 6.191751573e+01 5.910512303e+01 9.350229370e+01 1.22 5.772357461e+01 5.488431338e+01 8.745335497e+01 1.24 5.382771378e+01 5.099929550e+01 8.185973066e+01 1.26 5.020505866e+01 4.741821820e+01 7.667836499e+01 1.28 4.683339254e+01 4.411277111e+01 7.187112154e+01 1.30 4.369280703e+01 4.105775431e+01 6.740416721e+01 1.32 4.076540322e+01 3.823070187e+01 6.324743522e+01 1.34 3.803503619e+01 3.561155259e+01 5.937415699e+01 1.36 3.548709609e+01 3.318236196e+01 5.576045415e+01 1.38 3.310832062e+01 3.092705024e+01 5.238498301e+01 1.40 3.088663411e+01 2.883118205e+01 4.922862466e+01 1.42 2.881100920e+01 2.688177348e+01 4.627421487e+01 1.44 2.687134782e+01 2.506712335e+01 4.350630870e+01 1.46 2.505837861e+01 2.337666540e+01 4.091097527e+01 1.48 2.336356823e+01 2.180083891e+01 3.847561887e+01 1.50 2.177904462e+01 2.033097532e+01 3.618882283e+01 1.52 2.029753039e+01 1.895919882e+01 3.404021345e+01 1.54 1.891228480e+01 1.767833920e+01 3.202034115e+01 1.56 1.761705314e+01 1.648185536e+01 3.012057674e+01 1.58 1.640602241e+01 1.536376809e+01 2.833302079e+01 1.60 1.527378237e+01 1.431860105e+01 2.665042438e+01 1.62 1.421529114e+01 1.334132876e+01 2.506611983e+01 1.64 1.322584484e+01 1.242733089e+01 2.357395993e+01 1.66 1.230105052e+01 1.157235189e+01 2.216826483e+01 1.68 1.143680209e+01 1.077246534e+01 2.084377531e+01 1.70 1.062925867e+01 1.002404251e+01 1.959561178e+01 1.72 9.874825206e+00 9.323724452e+00 1.841923817e+01 1.74 9.170134883e+00 8.668397291e+00 1.731043018e+01 1.76 8.512033781e+00 8.055170278e+00 1.626524717e+01 1.78 7.897605803e+00 7.481356245e+00 1.528000735e+01 1.80 7.324134839e+00 6.944454193e+00 1.435126573e+01 1.82 6.788791828e+00 6.442133730e+00 1.347579463e+01 1.84 6.289270378e+00 5.972221146e+00 1.265056625e+01 1.86 5.823283696e+00 5.532686910e+00 1.187273709e+01 1.88 5.388686562e+00 5.121634434e+00 1.113963409e+01 1.90 4.983466502e+00 4.737289939e+00 1.044874211e+01 1.92 4.605735593e+00 4.377993297e+00 9.797692696e+00 1.94 4.253722817e+00 4.042189741e+00 9.184253914e+00 1.96 3.925766934e+00 3.728422330e+00 8.606321154e+00 1.98 3.620309811e+00 3.435325094e+00 8.061908767e+00 2.00 3.335890180e+00 3.161616776e+00 7.549142444e+00 2.02 3.071137792e+00 2.906095105e+00 7.066252239e+00 2.04 2.826004979e+00 2.667631553e+00 6.611566180e+00 2.06 2.614797599e+00 2.445166503e+00 6.183504381e+00 2.08 2.432897133e+00 2.237704807e+00 5.780573610e+00 2.10 2.234375058e+00 2.044311682e+00 5.401362269e+00 2.12 2.049764797e+00 1.864108912e+00 5.044535726e+00 2.14 1.878148260e+00 1.696271334e+00 4.708831978e+00 2.16 1.718665194e+00 1.540464706e+00 4.393057607e+00 2.18 1.570509707e+00 1.404327155e+00 4.096084000e+00 2.20 1.432926987e+00 1.296996805e+00 3.816843806e+00 2.22 1.305210215e+00 1.174017766e+00 3.554327616e+00 2.24 1.186697644e+00 1.057017833e+00 3.307580844e+00 2.26 1.076769851e+00 9.483127749e-01 3.075700785e+00 2.28 9.748471489e-01 8.473758479e-01 2.857833845e+00 2.30 8.803871386e-01 7.537119588e-01 2.653172932e+00 2.32 7.928824110e-01 6.668558217e-01 2.460954986e+00 2.34 7.118583777e-01 5.863702239e-01 2.280458640e+00 2.36 6.368712297e-01 5.118443927e-01 2.111002017e+00 2.38 5.675060155e-01 4.428924581e-01 1.951940637e+00 2.40 5.033748319e-01 3.791520041e-01 1.802665431e+00 2.42 4.441151228e-01 3.202827033e-01 1.662600869e+00 2.44 3.893880778e-01 2.659650294e-01 1.531203173e+00 2.46 3.388771284e-01 2.158990427e-01 1.407958632e+00 2.48 2.922865323e-01 1.698032450e-01 1.292387717e+00 2.50 2.493400458e-01 1.274134985e-01 1.187264009e+00 2.52 2.097796743e-01 8.848200614e-02 1.113608868e+00 2.54 1.733645010e-01 5.277634985e-02 1.082278566e+00 2.56 1.398695865e-01 2.007858208e-02 1.000060620e+00 2.58 1.090849362e-01 -9.815630573e-03 9.150377175e-01 2.60 8.081453169e-02 -3.709781578e-02 8.352318610e-01 2.62 5.487542302e-02 -6.194745800e-02 7.603262143e-01 2.64 3.109687669e-02 -8.453271784e-02 6.900215509e-01 2.66 9.319577781e-03 -1.050111106e-01 6.240353147e-01 2.68 -1.060511780e-02 -1.235301459e-01 5.621007282e-01 2.70 -2.881588379e-02 -1.402279312e-01 5.039659447e-01 2.72 -4.544207940e-02 -1.552337407e-01 4.493932445e-01 2.74 -6.060436333e-02 -1.686685506e-01 3.981582721e-01 2.76 -7.441526842e-02 -1.806455453e-01 3.500493135e-01 2.78 -8.697973929e-02 -1.912705922e-01 3.048666110e-01 2.80 -9.839563519e-02 -2.006426910e-01 2.624217154e-01 2.82 -1.087542003e-01 -2.088543950e-01 2.225368729e-01 2.84 -1.181405031e-01 -2.159922088e-01 1.850444457e-01 2.86 -1.266343548e-01 -2.221369624e-01 1.497863657e-01 2.88 -1.387958566e-01 -2.273641632e-01 1.166136185e-01 2.90 -1.944068463e-01 -2.317443272e-01 8.538575881e-02 2.92 -3.504385435e-01 -2.353432904e-01 5.597045404e-02 2.94 -4.927825509e-01 -2.382225019e-01 2.824305677e-02 2.96 -4.795629085e-01 -2.404392990e-01 2.086204286e-03 2.98 -4.668495057e-01 -2.420471666e-01 -2.261055513e-02 3.00 -4.546335289e-01 -2.430959798e-01 -4.595110993e-02 3.02 -4.429059675e-01 -2.436322330e-01 -6.803310762e-02 3.04 -4.316576571e-01 -2.436938193e-01 -8.894825205e-02 3.06 -4.208793166e-01 -2.427390358e-01 -1.087825762e-01 3.08 -4.105615780e-01 -2.375098615e-01 -1.276166903e-01 3.10 -4.006950108e-01 -2.205564043e-01 -1.455260064e-01 3.12 -3.912701401e-01 -2.020205910e-01 -1.625809379e-01 3.14 -3.822048921e-01 -2.011910155e-01 -1.788470760e-01 3.16 -3.670908926e-01 -2.000893477e-01 -1.943853408e-01 3.18 -3.134346123e-01 -1.987405676e-01 -2.092521094e-01 3.20 -1.583838317e-01 -1.971679326e-01 -2.234993186e-01 3.22 3.312425786e-02 -1.953930864e-01 -2.371745438e-01 3.24 3.154673753e-02 -1.934361604e-01 -2.503210533e-01 3.26 3.004256727e-02 -1.913158697e-01 -2.629778387e-01 3.28 2.860850478e-02 -1.890496033e-01 -2.751796211e-01 3.30 2.724143503e-02 -1.866535087e-01 -2.869568359e-01 3.32 2.593836680e-02 -1.841425711e-01 -2.983355949e-01 3.34 2.469642924e-02 -1.815306885e-01 -3.093376307e-01 3.36 2.351286830e-02 -1.788307419e-01 -3.199802247e-01 3.38 2.238504315e-02 -1.760546607e-01 -3.302761239e-01 3.40 2.131042261e-02 -1.732134849e-01 -3.402334515e-01 3.42 2.028658152e-02 -1.703174229e-01 -3.498556203e-01 3.44 1.931119719e-02 -1.673759061e-01 -3.591412566e-01 3.46 1.838204588e-02 -1.643976399e-01 -3.680841469e-01 3.48 1.749699922e-02 -1.613906514e-01 -3.766732223e-01 3.50 1.665402085e-02 -1.583623345e-01 -3.848925947e-01 3.52 1.572657325e-02 -1.554863764e-01 -3.928987084e-01 3.54 1.323959440e-02 -1.544077319e-01 -4.014976411e-01 3.56 6.472754087e-03 -1.534124292e-01 -3.984850441e-01 3.58 -2.555750218e-03 -1.187167961e-01 -2.978798172e-01 3.60 -8.469994346e-24 -1.197513566e-22 -1.272752857e-22 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 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