# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Bullens-J-et-al--Fe-Cr-W # implementation = 2013--Bonny-G--Fe-Cr-W--LAMMPS--ipr1 # composition = Cr2FeW # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 1.088631573e+03 1.088631573e+03 0.98 1.006326536e+03 1.006326536e+03 1.00 9.307704817e+02 9.307704817e+02 1.02 8.612527078e+02 8.612527078e+02 1.04 7.972831741e+02 7.972831741e+02 1.06 7.384398930e+02 7.384398930e+02 1.08 6.842435273e+02 6.842435273e+02 1.10 6.342075741e+02 6.342075741e+02 1.12 5.878971483e+02 5.878971483e+02 1.14 5.449197994e+02 5.449197994e+02 1.16 5.050290679e+02 5.050290679e+02 1.18 4.679937545e+02 4.679937545e+02 1.20 4.336191088e+02 4.336191088e+02 1.22 4.017365395e+02 4.017365395e+02 1.24 3.721846380e+02 3.721846380e+02 1.26 3.447605693e+02 3.447605693e+02 1.28 3.192886438e+02 3.192886438e+02 1.30 2.956229935e+02 2.956229935e+02 1.32 2.736298474e+02 2.736298474e+02 1.34 2.531921520e+02 2.531921520e+02 1.36 2.341976629e+02 2.341976629e+02 1.38 2.165413274e+02 2.165413274e+02 1.40 2.001243562e+02 2.001243562e+02 1.42 1.848523485e+02 1.848523485e+02 1.44 1.706396757e+02 1.706396757e+02 1.46 1.574198557e+02 1.574198557e+02 1.48 1.451224199e+02 1.451224199e+02 1.50 1.336764030e+02 1.336764030e+02 1.52 1.230274187e+02 1.230274187e+02 1.54 1.131303771e+02 1.131303771e+02 1.56 1.039411301e+02 1.039411301e+02 1.58 9.541701091e+01 9.541701091e+01 1.60 8.751487605e+01 8.751487605e+01 1.62 8.019215960e+01 8.019215960e+01 1.64 7.341154785e+01 7.341154785e+01 1.66 6.713170648e+01 6.713170648e+01 1.68 6.130754989e+01 6.130754989e+01 1.70 5.589347581e+01 5.589347581e+01 1.72 5.084652489e+01 5.084652489e+01 1.74 4.612496746e+01 4.612496746e+01 1.76 4.169370618e+01 4.169370618e+01 1.78 3.753439879e+01 3.753439879e+01 1.80 3.364283815e+01 3.364283815e+01 1.82 3.003665374e+01 3.003665374e+01 1.84 2.670679890e+01 2.670679890e+01 1.86 2.363870385e+01 2.363870385e+01 1.88 2.081789882e+01 2.081789882e+01 1.90 1.823038545e+01 1.823038545e+01 1.92 1.586283269e+01 1.586283269e+01 1.94 1.370290239e+01 1.370290239e+01 1.96 1.173900230e+01 1.173900230e+01 1.98 9.961876501e+00 9.961876501e+00 2.00 8.361977812e+00 8.361977812e+00 2.02 6.921337215e+00 6.921337215e+00 2.04 5.624456696e+00 5.624456696e+00 2.06 4.457126704e+00 4.457126704e+00 2.08 3.405775482e+00 3.405775482e+00 2.10 2.458279272e+00 2.458279272e+00 2.12 1.603158818e+00 1.603158818e+00 2.14 8.289740537e-01 8.289740537e-01 2.16 1.241248823e-01 1.241248823e-01 2.18 -5.185593807e-01 -5.185593807e-01 2.20 -1.101867756e+00 -1.101867756e+00 2.22 -1.628568060e+00 -1.628568060e+00 2.24 -2.101643609e+00 -2.101643609e+00 2.26 -2.524052597e+00 -2.524052597e+00 2.28 -2.898684081e+00 -2.898684081e+00 2.30 -3.228507728e+00 -3.228507728e+00 2.32 -3.516977023e+00 -3.516977023e+00 2.34 -3.767372954e+00 -3.767372954e+00 2.36 -3.983387722e+00 -3.983387722e+00 2.38 -4.169487397e+00 -4.169487397e+00 2.40 -4.329845626e+00 -4.329845626e+00 2.42 -4.467629780e+00 -4.467629780e+00 2.44 -4.585726638e+00 -4.585726638e+00 2.46 -4.685956549e+00 -4.685956549e+00 2.48 -4.769258026e+00 -4.769258026e+00 2.50 -4.836528769e+00 -4.836528769e+00 2.52 -4.888703786e+00 -4.888703786e+00 2.54 -4.926777676e+00 -4.926777676e+00 2.56 -4.951745238e+00 -4.951745238e+00 2.58 -4.964580183e+00 -4.964580183e+00 2.60 -4.966198016e+00 -4.966198016e+00 2.62 -4.957381383e+00 -4.957381383e+00 2.64 -4.938931195e+00 -4.938931195e+00 2.66 -4.911672045e+00 -4.911672045e+00 2.68 -4.876427922e+00 -4.876427922e+00 2.70 -4.833966056e+00 -4.833966056e+00 2.72 -4.784094077e+00 -4.784094077e+00 2.74 -4.727265130e+00 -4.727265130e+00 2.76 -4.664322905e+00 -4.664322905e+00 2.78 -4.596105608e+00 -4.596105608e+00 2.80 -4.523445601e+00 -4.523445601e+00 2.82 -4.447167700e+00 -4.447167700e+00 2.84 -4.368091178e+00 -4.368091178e+00 2.86 -4.287030097e+00 -4.287030097e+00 2.88 -4.204691439e+00 -4.204691439e+00 2.90 -4.121512222e+00 -4.121512222e+00 2.92 -4.037890284e+00 -4.037890284e+00 2.94 -3.954127800e+00 -3.954127800e+00 2.96 -3.870365094e+00 -3.870365094e+00 2.98 -3.786723707e+00 -3.786723707e+00 3.00 -3.703318464e+00 -3.703318464e+00 3.02 -3.620259020e+00 -3.620259020e+00 3.04 -3.537643202e+00 -3.537643202e+00 3.06 -3.455513075e+00 -3.455513075e+00 3.08 -3.373889367e+00 -3.373889367e+00 3.10 -3.292790713e+00 -3.292790713e+00 3.12 -3.212233810e+00 -3.212233810e+00 3.14 -3.132233521e+00 -3.132233521e+00 3.16 -3.052802977e+00 -3.052802977e+00 3.18 -2.973953650e+00 -2.973953650e+00 3.20 -2.895695412e+00 -2.895695412e+00 3.22 -2.818036570e+00 -2.818036570e+00 3.24 -2.740983883e+00 -2.740983883e+00 3.26 -2.664563514e+00 -2.664563514e+00 3.28 -2.588861017e+00 -2.588861017e+00 3.30 -2.513975130e+00 -2.513975130e+00 3.32 -2.440036795e+00 -2.440036795e+00 3.34 -2.367194393e+00 -2.367194393e+00 3.36 -2.295587421e+00 -2.295587421e+00 3.38 -2.225278720e+00 -2.225278720e+00 3.40 -2.156281085e+00 -2.156281085e+00 3.42 -2.088601063e+00 -2.088601063e+00 3.44 -2.022205011e+00 -2.022205011e+00 3.46 -1.957009798e+00 -1.957009798e+00 3.48 -1.892931167e+00 -1.892931167e+00 3.50 -1.829903003e+00 -1.829903003e+00 3.52 -1.767873985e+00 -1.767873985e+00 3.54 -1.706804317e+00 -1.706804317e+00 3.56 -1.646662725e+00 -1.646662725e+00 3.58 -1.587407217e+00 -1.587407217e+00 3.60 -1.528988252e+00 -1.528988252e+00 3.62 -1.471360229e+00 -1.471360229e+00 3.64 -1.414406555e+00 -1.414406555e+00 3.66 -1.357999472e+00 -1.357999472e+00 3.68 -1.302098685e+00 -1.302098685e+00 3.70 -1.246694623e+00 -1.246694623e+00 3.72 -1.191821195e+00 -1.191821195e+00 3.74 -1.137502242e+00 -1.137502242e+00 3.76 -1.083773869e+00 -1.083773869e+00 3.78 -1.030751520e+00 -1.030751520e+00 3.80 -9.786401316e-01 -9.786401316e-01 3.82 -9.275866509e-01 -9.275866509e-01 3.84 -8.767966409e-01 -8.767966409e-01 3.86 -8.260697243e-01 -8.260697243e-01 3.88 -7.754125137e-01 -7.754125137e-01 3.90 -7.243761695e-01 -7.243761695e-01 3.92 -6.744275540e-01 -6.744275540e-01 3.94 -6.278913288e-01 -6.278913288e-01 3.96 -5.792677103e-01 -5.792677103e-01 3.98 -5.238269422e-01 -5.238269422e-01 4.00 -4.631050411e-01 -4.631050411e-01 4.02 -4.044194050e-01 -4.044194050e-01 4.04 -3.520456450e-01 -3.520456450e-01 4.06 -3.073548819e-01 -3.073548819e-01 4.08 -2.701115433e-01 -2.701115433e-01 4.10 -2.396431597e-01 -2.396431597e-01 4.12 -2.149958901e-01 -2.149958901e-01 4.14 -1.920826727e-01 -1.920826727e-01 4.16 -1.699136213e-01 -1.699136213e-01 4.18 -1.486035341e-01 -1.486035341e-01 4.20 -1.282807592e-01 -1.282807592e-01 4.22 -1.090613394e-01 -1.090613394e-01 4.24 -9.110280881e-02 -9.110280881e-02 4.26 -7.461198150e-02 -7.461198150e-02 4.28 -5.978100751e-02 -5.978100751e-02 4.30 -4.677272847e-02 -4.677272847e-02 4.32 -3.565249076e-02 -3.565249076e-02 4.34 -2.662809359e-02 -2.662809359e-02 4.36 -1.984439267e-02 -1.984439267e-02 4.38 -1.531942561e-02 -1.531942561e-02 4.40 -1.302725618e-02 -1.302725618e-02 4.42 -1.191208816e-02 -1.191208816e-02 4.44 -1.088303693e-02 -1.088303693e-02 4.46 -9.932088551e-03 -9.932088551e-03 4.48 -9.051393779e-03 -9.051393779e-03 4.50 -8.233105803e-03 -8.233105803e-03 4.52 -7.470578666e-03 -7.470578666e-03 4.54 -6.761962278e-03 -6.761962278e-03 4.56 -6.106607283e-03 -6.106607283e-03 4.58 -5.503843479e-03 -5.503843479e-03 4.60 -4.952238591e-03 -4.952238591e-03 4.62 -4.449441463e-03 -4.449441463e-03 4.64 -3.993048310e-03 -3.993048310e-03 4.66 -3.580657331e-03 -3.580657331e-03 4.68 -3.209868717e-03 -3.209868717e-03 4.70 -2.878284814e-03 -2.878284814e-03 4.72 -2.583509452e-03 -2.583509452e-03 4.74 -2.323149105e-03 -2.323149105e-03 4.76 -2.094810948e-03 -2.094810948e-03 4.78 -1.896104970e-03 -1.896104970e-03 4.80 -1.724643181e-03 -1.724643181e-03 4.82 -1.578037003e-03 -1.578037003e-03 4.84 -1.453902343e-03 -1.453902343e-03 4.86 -1.349856067e-03 -1.349856067e-03 4.88 -1.263511643e-03 -1.263511643e-03 4.90 -1.192493131e-03 -1.192493131e-03 4.92 -1.134426067e-03 -1.134426067e-03 4.94 -1.086887010e-03 -1.086887010e-03 4.96 -1.047508226e-03 -1.047508226e-03 4.98 -1.013975267e-03 -1.013975267e-03 5.00 -9.839262601e-04 -9.839262601e-04 5.02 -9.554180737e-04 -9.554180737e-04 5.04 -9.280555192e-04 -9.280555192e-04 5.06 -9.017503473e-04 -9.017503473e-04 5.08 -8.764138624e-04 -8.764138624e-04 5.10 -8.519938009e-04 -8.519938009e-04 5.12 -8.202871237e-04 -8.202871237e-04 5.14 -7.748617976e-04 -7.748617976e-04 5.16 -7.219657617e-04 -7.219657617e-04 5.18 -6.657900996e-04 -6.657900996e-04 5.20 -5.840489208e-04 -5.840489208e-04 5.22 -4.686239676e-04 -4.686239676e-04 5.24 -3.563645657e-04 -3.563645657e-04 5.26 -2.755455901e-04 -2.755455901e-04 5.28 -2.310375920e-04 -2.310375920e-04 5.30 -2.176916002e-04 -2.176915915e-04 5.32 -2.176730500e-04 -2.176730500e-04 5.34 -2.176730500e-04 -2.176730500e-04 5.36 -2.176730500e-04 -2.176730500e-04 5.38 -2.176730500e-04 -2.176730500e-04 5.40 -2.176730500e-04 -2.176730500e-04 5.42 -2.176730500e-04 -2.176730500e-04 5.44 -2.176730500e-04 -2.176730500e-04 5.46 -2.176730500e-04 -2.176730500e-04 5.48 -2.176730500e-04 -2.176730500e-04 5.50 -2.176730500e-04 -2.176730500e-04 5.52 -2.176730500e-04 -2.176730500e-04 5.54 -2.176730500e-04 -2.176730500e-04 5.56 -2.176730500e-04 -2.176730500e-04 5.58 -2.176730500e-04 -2.176730500e-04 5.60 -2.176730500e-04 -2.176730500e-04 5.62 -2.176730500e-04 -2.176730500e-04 5.64 -2.176730500e-04 -2.176730500e-04 5.66 -2.176730500e-04 -2.176730500e-04 5.68 -2.176730500e-04 -2.176730500e-04 5.70 -2.176730500e-04 -2.176730500e-04 5.72 -2.176730500e-04 -2.176730500e-04 5.74 -2.176730500e-04 -2.176730500e-04 5.76 -2.176730500e-04 -2.176730500e-04 5.78 -2.176730500e-04 -2.176730500e-04 5.80 -2.176730500e-04 -2.176730500e-04 5.82 -2.176730500e-04 -2.176730500e-04 5.84 -2.176730500e-04 -2.176730500e-04 5.86 -2.176730500e-04 -2.176730500e-04 5.88 -2.176730500e-04 -2.176730500e-04 5.90 -2.176730500e-04 -2.176730500e-04 5.92 -2.176730500e-04 -2.176730500e-04 5.94 -2.176730500e-04 -2.176730500e-04 5.96 -2.176730500e-04 -2.176730500e-04 5.98 -2.176730500e-04 -2.176730500e-04 6.00 -2.176730500e-04 -2.176730500e-04