# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--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 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 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 -4.207791658e+02 nan nan 0.96 -3.947110783e+02 nan nan 0.98 -3.703500531e+02 nan nan 1.00 -3.474348253e+02 nan nan 1.02 -3.257873262e+02 nan nan 1.04 -3.053256038e+02 -4.044874080e+02 nan 1.06 -2.861460722e+02 -3.821840389e+02 -4.172573414e+02 1.08 -2.685469303e+02 -3.613525097e+02 -3.936664719e+02 1.10 -2.520528362e+02 -3.415769549e+02 -3.707415575e+02 1.12 -2.367764657e+02 -3.221938895e+02 -3.488348345e+02 1.14 -2.225307821e+02 -3.030493586e+02 -3.283138378e+02 1.16 -2.097918479e+02 -2.846896051e+02 -3.093892262e+02 1.18 -1.980757977e+02 -2.672114277e+02 -2.919494665e+02 1.20 -1.871557117e+02 -2.512337239e+02 -2.761612317e+02 1.22 -1.764787855e+02 -2.369977720e+02 -2.622552551e+02 1.24 -1.660495747e+02 -2.240581718e+02 -2.494600976e+02 1.26 -1.557248378e+02 -2.119390670e+02 -2.373768931e+02 1.28 -1.456452055e+02 -2.011025795e+02 -2.255220244e+02 1.30 -1.359847739e+02 -1.909779176e+02 -2.138426956e+02 1.32 -1.266648276e+02 -1.813809345e+02 -2.025820274e+02 1.34 -1.175661205e+02 -1.719828787e+02 -1.915572852e+02 1.36 -1.089591586e+02 -1.629986012e+02 -1.810376344e+02 1.38 -1.006870129e+02 -1.543779820e+02 -1.710759709e+02 1.40 -9.268476463e+01 -1.463845829e+02 -1.615247042e+02 1.42 -8.496114436e+01 -1.385695666e+02 -1.524472429e+02 1.44 -7.765773098e+01 -1.307068678e+02 -1.438371952e+02 1.46 -7.081207129e+01 -1.229207014e+02 -1.359387222e+02 1.48 -6.412249817e+01 -1.149372046e+02 -1.285492016e+02 1.50 -5.740552340e+01 -1.069636923e+02 -1.214504330e+02 1.52 -5.057782308e+01 -9.914337830e+01 -1.143282290e+02 1.54 -4.398119752e+01 -9.150721723e+01 -1.069852750e+02 1.56 -3.754583290e+01 -8.397876306e+01 -9.969336294e+01 1.58 -3.138866379e+01 -7.649336197e+01 -9.239882117e+01 1.60 -2.545917771e+01 -6.893295414e+01 -8.524003024e+01 1.62 -1.967957544e+01 -6.123550896e+01 -7.818381136e+01 1.64 -1.415687696e+01 -5.362084785e+01 -7.116692326e+01 1.66 -9.319440973e+00 -4.643603878e+01 -6.416561625e+01 1.68 -5.858575637e+00 -3.964631330e+01 -5.755322153e+01 1.70 -3.428157689e+00 -3.330689953e+01 -5.094973941e+01 1.72 -1.923345515e+00 -2.739678336e+01 -4.450945617e+01 1.74 -1.098199211e+00 -2.200807713e+01 -3.834334553e+01 1.76 -7.174059480e-01 -1.715952795e+01 -3.242323500e+01 1.78 -6.310727679e-01 -1.271225242e+01 -2.681716970e+01 1.80 -7.229572263e-01 -8.726365705e+00 -2.152047745e+01 1.82 -9.155457489e-01 -5.671459757e+00 -1.661190845e+01 1.84 -1.162851220e+00 -3.522975686e+00 -1.200178906e+01 1.86 -1.429551824e+00 -2.073320850e+00 -7.904415501e+00 1.88 -1.694298291e+00 -1.169312927e+00 -4.910048130e+00 1.90 -1.947514442e+00 -6.660543031e-01 -2.930160313e+00 1.92 -2.191230552e+00 -4.423206218e-01 -1.655369431e+00 1.94 -2.424788869e+00 -4.101724298e-01 -8.911293567e-01 1.96 -2.641819987e+00 -5.094792516e-01 -4.845013565e-01 1.98 -2.836334173e+00 -6.960958889e-01 -3.255446438e-01 2.00 -3.009819014e+00 -9.370867275e-01 -3.369913740e-01 2.02 -3.164610289e+00 -1.207067470e+00 -4.588329719e-01 2.04 -3.304912022e+00 -1.492001559e+00 -6.455391950e-01 2.06 -3.433016356e+00 -1.780910376e+00 -8.755960683e-01 2.08 -3.549733317e+00 -2.066722937e+00 -1.134605759e+00 2.10 -3.655768179e+00 -2.343869970e+00 -1.412667524e+00 2.12 -3.751595292e+00 -2.607866800e+00 -1.700703845e+00 2.14 -3.831270634e+00 -2.849651217e+00 -1.988091782e+00 2.16 -3.904478753e+00 -3.072163315e+00 -2.268288800e+00 2.18 -3.969635615e+00 -3.270500643e+00 -2.534362634e+00 2.20 -4.021404611e+00 -3.441890498e+00 -2.782630348e+00 2.22 -4.067857900e+00 -3.585886724e+00 -3.012536323e+00 2.24 -4.097814372e+00 -3.705860190e+00 -3.227161048e+00 2.26 -4.123143930e+00 -3.805398466e+00 -3.431051215e+00 2.28 -4.139737910e+00 -3.887797295e+00 -3.603538708e+00 2.30 -4.147658515e+00 -3.956545410e+00 -3.766549227e+00 2.32 -4.146073861e+00 -4.015801912e+00 -3.907739774e+00 2.34 -4.134758463e+00 -4.055345506e+00 -4.025398829e+00 2.36 -4.114651765e+00 -4.096946994e+00 -4.119722713e+00 2.38 -4.086568158e+00 -4.137439996e+00 -4.192765219e+00 2.40 -4.050983314e+00 -4.162785766e+00 -4.247795414e+00 2.42 -4.007971639e+00 -4.193243405e+00 -4.288530009e+00 2.44 -3.957647861e+00 -4.220181965e+00 -4.318725094e+00 2.46 -3.900322191e+00 -4.242240516e+00 -4.336836265e+00 2.48 -3.836554488e+00 -4.258133510e+00 -4.350068185e+00 2.50 -3.767336923e+00 -4.266867772e+00 -4.356581353e+00 2.52 -3.693813320e+00 -4.268174499e+00 -4.355557691e+00 2.54 -3.617016935e+00 -4.261608559e+00 -4.346034243e+00 2.56 -3.536494293e+00 -4.246836191e+00 -4.328145778e+00 2.58 -3.455120765e+00 -4.223719760e+00 -4.302675211e+00 2.60 -3.373104884e+00 -4.190457616e+00 -4.270772707e+00 2.62 -3.287628104e+00 -4.150103996e+00 -4.233822240e+00 2.64 -3.203941153e+00 -4.102310296e+00 -4.193339072e+00 2.66 -3.120521379e+00 -4.047838692e+00 -4.150849760e+00 2.68 -3.037453122e+00 -3.987384604e+00 -4.107876497e+00 2.70 -2.952220879e+00 -3.921618916e+00 -4.052093278e+00 2.72 -2.867671968e+00 -3.851218741e+00 -4.003057197e+00 2.74 -2.782306102e+00 -3.776873045e+00 -3.953744028e+00 2.76 -2.695868716e+00 -3.699343868e+00 -3.904059471e+00 2.78 -2.608143184e+00 -3.619491596e+00 -3.853439109e+00 2.80 -2.519226494e+00 -3.538281034e+00 -3.801304282e+00 2.82 -2.429568104e+00 -3.456622382e+00 -3.747141383e+00 2.84 -2.340226456e+00 -3.375220522e+00 -3.690470923e+00 2.86 -2.252384860e+00 -3.294518930e+00 -3.631023545e+00 2.88 -2.166938869e+00 -3.214587545e+00 -3.568749356e+00 2.90 -2.084550450e+00 -3.135225084e+00 -3.503762626e+00 2.92 -2.005571968e+00 -3.056375353e+00 -3.436287669e+00 2.94 -1.930052540e+00 -2.977960681e+00 -3.366619046e+00 2.96 -1.857818237e+00 -2.899701412e+00 -3.295107825e+00 2.98 -1.788628631e+00 -2.821407340e+00 -3.222178958e+00 3.00 -1.721495179e+00 -2.742133254e+00 -3.146408349e+00 3.02 -1.656709139e+00 -2.661909720e+00 -3.068289847e+00 3.04 -1.594489192e+00 -2.582670764e+00 -2.990353405e+00 3.06 -1.534471795e+00 -2.503916506e+00 -2.911708589e+00 3.08 -1.476643966e+00 -2.425990447e+00 -2.832722165e+00 3.10 -1.421045738e+00 -2.349245674e+00 -2.753615435e+00 3.12 -1.367711414e+00 -2.274026541e+00 -2.674556946e+00 3.14 -1.316638681e+00 -2.195484513e+00 -2.595598573e+00 3.16 -1.267792440e+00 -2.120605143e+00 -2.516640537e+00 3.18 -1.221140107e+00 -2.046722817e+00 -2.437581882e+00 3.20 -1.176599639e+00 -1.974092569e+00 -2.358439061e+00 3.22 -1.134533561e+00 -1.902998465e+00 -2.279379909e+00 3.24 -1.094514828e+00 -1.833710349e+00 -2.200559447e+00 3.26 -1.056635308e+00 -1.766437219e+00 -2.121823238e+00 3.28 -1.020808342e+00 -1.701295559e+00 -2.043111199e+00 3.30 -9.869325324e-01 -1.638294149e+00 -1.964532177e+00 3.32 -9.548973010e-01 -1.577337866e+00 -1.886317971e+00 3.34 -9.235358092e-01 -1.518251360e+00 -1.808772337e+00 3.36 -8.941973309e-01 -1.460843366e+00 -1.732228969e+00 3.38 -8.661099497e-01 -1.404954845e+00 -1.657014462e+00 3.40 -8.390998211e-01 -1.350499810e+00 -1.583411417e+00 3.42 -8.129857154e-01 -1.297537000e+00 -1.511677198e+00 3.44 -7.876113310e-01 -1.246189270e+00 -1.442044946e+00 3.46 -7.628877060e-01 -1.196604908e+00 -1.374718485e+00 3.48 -7.378516087e-01 -1.148929605e+00 -1.308290441e+00 3.50 -7.138342433e-01 -1.103281946e+00 -1.245738472e+00 3.52 -6.902264368e-01 -1.059737468e+00 -1.186106401e+00 3.54 -6.669776798e-01 -1.018323099e+00 -1.129588845e+00 3.56 -6.440350514e-01 -9.790205454e-01 -1.076358820e+00 3.58 -6.213434973e-01 -9.417761104e-01 -1.026564534e+00 3.60 -5.988455823e-01 -9.065099929e-01 -9.803271611e-01 3.62 -5.764815646e-01 -8.731201207e-01 -9.377378895e-01 3.64 -5.541873530e-01 -8.414832914e-01 -8.988387857e-01 3.66 -5.318886177e-01 -8.114737992e-01 -8.635800445e-01 3.68 -5.095072510e-01 -7.837661459e-01 -8.318612089e-01 3.70 -4.869636546e-01 -7.571845039e-01 -8.035280955e-01 3.72 -4.642001656e-01 -7.320498558e-01 -7.783412672e-01 3.74 -4.411854530e-01 -7.082501001e-01 -7.560083726e-01 3.76 -4.179037416e-01 -6.856662385e-01 -7.361967206e-01 3.78 -3.943917771e-01 -6.641728511e-01 -7.185418007e-01 3.80 -3.707026693e-01 -6.436383141e-01 -7.026585755e-01 3.82 -3.468924426e-01 -6.239256288e-01 -6.881575222e-01 3.84 -3.230203821e-01 -6.048921712e-01 -6.746608997e-01 3.86 -2.991513124e-01 -5.863975684e-01 -6.618281049e-01 3.88 -2.753733899e-01 -5.683625795e-01 -6.494466329e-01 3.90 -2.517844058e-01 -5.507407580e-01 -6.373939941e-01 3.92 -2.284690962e-01 -5.334856186e-01 -6.255945061e-01 3.94 -2.055142779e-01 -5.165563209e-01 -6.140311034e-01 3.96 -1.830128192e-01 -4.999224054e-01 -6.027094633e-01 3.98 -1.610630032e-01 -4.835559482e-01 -5.916367744e-01 4.00 -1.397689285e-01 -4.674304688e-01 -5.808105885e-01 4.02 -1.192390545e-01 -4.515208711e-01 -5.702112793e-01 4.04 -9.958633834e-02 -4.358038335e-01 -5.597995259e-01 4.06 -8.092627423e-02 -4.202579391e-01 -5.495165142e-01 4.08 -6.336881712e-02 -4.048633598e-01 -5.392857315e-01 4.10 -4.709761948e-02 -3.896024756e-01 -5.290180591e-01 4.12 -3.255183125e-02 -3.744593671e-01 -5.186155373e-01 4.14 -1.996675912e-02 -3.594100004e-01 -5.079767666e-01 4.16 -9.337361807e-03 -3.444156409e-01 -4.969982918e-01 4.18 -4.998667734e-04 -3.294382214e-01 -4.855743879e-01 4.20 6.783800122e-03 -3.144506436e-01 -4.736106156e-01 4.22 1.274295325e-02 -2.994749033e-01 -4.610805730e-01 4.24 1.754301662e-02 -2.845510038e-01 -4.479789833e-01 4.26 2.125328912e-02 -2.697210758e-01 -4.356679839e-01 4.28 2.388771132e-02 -2.550290768e-01 -4.220570013e-01 4.30 2.542889235e-02 -2.405210161e-01 -4.080455694e-01 4.32 2.585409648e-02 -2.262442237e-01 -3.936533140e-01 4.34 2.519515027e-02 -2.122472677e-01 -3.789000440e-01 4.36 2.357839978e-02 -1.985791975e-01 -3.638056804e-01 4.38 2.123118769e-02 -1.852891547e-01 -3.483903138e-01 4.40 1.845501015e-02 -1.724250890e-01 -3.326739264e-01 4.42 1.557390693e-02 -1.600330546e-01 -3.166769914e-01 4.44 1.289071121e-02 -1.481553585e-01 -3.004198305e-01 4.46 1.069714285e-02 -1.368292202e-01 -2.839232308e-01 4.48 9.175239940e-03 -1.260843664e-01 -2.672078474e-01 4.50 8.374136405e-03 -1.159414189e-01 -2.502950676e-01 4.52 8.234150664e-03 -1.064055331e-01 -2.332060517e-01 4.54 8.603920295e-03 -9.744100923e-02 -2.159674859e-01 4.56 9.278920791e-03 -8.899952603e-02 -1.986259410e-01 4.58 1.004440342e-02 -8.102973782e-02 -1.812342630e-01 4.60 1.070466279e-02 -7.345255153e-02 -1.638464828e-01 4.62 1.110429820e-02 -6.617177673e-02 -1.465182015e-01 4.64 1.114302548e-02 -5.908455908e-02 -1.293062223e-01 4.66 1.078257632e-02 -5.209123336e-02 -1.122687171e-01 4.68 1.005084592e-02 -4.510587298e-02 -9.546553416e-02 4.70 9.032044249e-03 -3.806590696e-02 -7.895767668e-02 4.72 7.840482712e-03 -3.094168448e-02 -6.280753624e-02 4.74 6.601301307e-03 -2.374243502e-02 -4.707911029e-02 4.76 5.432380995e-03 -1.651642551e-02 -3.183683450e-02 4.78 4.434780670e-03 -9.334250721e-03 -1.712878773e-02 4.80 3.689941956e-03 -2.282898184e-03 -2.991976090e-03 4.82 3.260632306e-03 4.528756550e-03 1.029845436e-02 4.84 3.196412373e-03 1.099900433e-02 2.234127239e-02 4.86 3.538675562e-03 1.704894637e-02 3.283257605e-02 4.88 4.322837627e-03 2.263004199e-02 4.157214326e-02 4.90 2.497070539e-03 2.772480545e-02 4.846212239e-02 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