# 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 = AgCo2Fe # 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 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 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.799650118e+02 1.799650118e+02 1.30 1.649689081e+02 1.649689081e+02 1.32 1.511965705e+02 1.511965705e+02 1.34 1.385414959e+02 1.385414959e+02 1.36 1.269076286e+02 1.269076286e+02 1.38 1.162089974e+02 1.162089974e+02 1.40 1.063684529e+02 1.063684529e+02 1.42 9.731606575e+01 9.731606575e+01 1.44 8.898760765e+01 8.898760765e+01 1.46 8.132368719e+01 8.132368719e+01 1.48 7.426979582e+01 7.426979582e+01 1.50 6.777662230e+01 6.777662230e+01 1.52 6.179978296e+01 6.179978296e+01 1.54 5.629896908e+01 5.629896908e+01 1.56 5.123712371e+01 5.123712371e+01 1.58 4.657996057e+01 4.657996057e+01 1.60 4.229569326e+01 4.229569326e+01 1.62 3.835493685e+01 3.835493685e+01 1.64 3.473323754e+01 3.473323754e+01 1.66 3.140573997e+01 3.140573997e+01 1.68 2.834828435e+01 2.834828435e+01 1.70 2.553860200e+01 2.553860200e+01 1.72 2.295636044e+01 2.295636044e+01 1.74 2.058305309e+01 2.058305309e+01 1.76 1.840181664e+01 1.840181664e+01 1.78 1.639730861e+01 1.639730861e+01 1.80 1.455566054e+01 1.455566054e+01 1.82 1.286441222e+01 1.286441222e+01 1.84 1.131235223e+01 1.131235223e+01 1.86 9.889281436e+00 9.889281436e+00 1.88 8.585762069e+00 8.585762069e+00 1.90 7.392901938e+00 7.392901938e+00 1.92 6.302203373e+00 6.302203373e+00 1.94 5.305497776e+00 5.305497776e+00 1.96 4.394969012e+00 4.394969012e+00 1.98 3.563239202e+00 3.563239202e+00 2.00 2.803472383e+00 2.803472383e+00 2.02 2.109454483e+00 2.109454483e+00 2.04 1.475621318e+00 1.475621318e+00 2.06 8.970270442e-01 8.970270442e-01 2.08 3.692690613e-01 3.692690613e-01 2.10 -1.116035820e-01 -1.116035820e-01 2.12 -5.491761719e-01 -5.491761719e-01 2.14 -9.467364044e-01 -9.467364044e-01 2.16 -1.307319676e+00 -1.307319676e+00 2.18 -1.633732976e+00 -1.633732976e+00 2.20 -1.928565087e+00 -1.928565087e+00 2.22 -2.194193900e+00 -2.194193900e+00 2.24 -2.432798603e+00 -2.432798603e+00 2.26 -2.646378045e+00 -2.646378045e+00 2.28 -2.836771955e+00 -2.836771955e+00 2.30 -3.005680931e+00 -3.005680931e+00 2.32 -3.154682738e+00 -3.154682738e+00 2.34 -3.285244340e+00 -3.285244340e+00 2.36 -3.398730606e+00 -3.398730606e+00 2.38 -3.496467249e+00 -3.496467249e+00 2.40 -3.579672658e+00 -3.579672658e+00 2.42 -3.649331749e+00 -3.649331749e+00 2.44 -3.706390932e+00 -3.706390932e+00 2.46 -3.751768561e+00 -3.751768561e+00 2.48 -3.786360350e+00 -3.786360350e+00 2.50 -3.811043300e+00 -3.811043300e+00 2.52 -3.826671330e+00 -3.826671330e+00 2.54 -3.833964471e+00 -3.833964471e+00 2.56 -3.833560079e+00 -3.833560079e+00 2.58 -3.826132590e+00 -3.826132590e+00 2.60 -3.812379291e+00 -3.812379291e+00 2.62 -3.792991886e+00 -3.792991886e+00 2.64 -3.768622158e+00 -3.768622158e+00 2.66 -3.739944881e+00 -3.739944881e+00 2.68 -3.707410465e+00 -3.707410465e+00 2.70 -3.671098418e+00 -3.671098418e+00 2.72 -3.631073587e+00 -3.631073587e+00 2.74 -3.587413133e+00 -3.587413133e+00 2.76 -3.540211734e+00 -3.540211734e+00 2.78 -3.489587978e+00 -3.489587978e+00 2.80 -3.435698646e+00 -3.435698646e+00 2.82 -3.378737786e+00 -3.378737786e+00 2.84 -3.318923162e+00 -3.318923162e+00 2.86 -3.256492202e+00 -3.256492202e+00 2.88 -3.191696714e+00 -3.191696714e+00 2.90 -3.124797024e+00 -3.124797024e+00 2.92 -3.056056896e+00 -3.056056896e+00 2.94 -2.985740394e+00 -2.985740394e+00 2.96 -2.914111212e+00 -2.914111212e+00 2.98 -2.841434063e+00 -2.841434063e+00 3.00 -2.767976635e+00 -2.767976635e+00 3.02 -2.694009985e+00 -2.694009985e+00 3.04 -2.619805421e+00 -2.619805421e+00 3.06 -2.545627189e+00 -2.545627189e+00 3.08 -2.471722220e+00 -2.471722220e+00 3.10 -2.398309908e+00 -2.398309908e+00 3.12 -2.325575249e+00 -2.325575249e+00 3.14 -2.253667601e+00 -2.253667601e+00 3.16 -2.182705252e+00 -2.182705252e+00 3.18 -2.112784180e+00 -2.112784180e+00 3.20 -2.043988395e+00 -2.043988395e+00 3.22 -1.976399346e+00 -1.976399346e+00 3.24 -1.910102576e+00 -1.910102576e+00 3.26 -1.845190770e+00 -1.845190770e+00 3.28 -1.781763163e+00 -1.781763163e+00 3.30 -1.719921975e+00 -1.719921975e+00 3.32 -1.659766873e+00 -1.659766873e+00 3.34 -1.601388648e+00 -1.601388648e+00 3.36 -1.544863234e+00 -1.544863234e+00 3.38 -1.490246957e+00 -1.490246957e+00 3.40 -1.437573572e+00 -1.437573572e+00 3.42 -1.386853297e+00 -1.386853297e+00 3.44 -1.338073681e+00 -1.338073681e+00 3.46 -1.291201947e+00 -1.291201947e+00 3.48 -1.246188321e+00 -1.246188321e+00 3.50 -1.202969810e+00 -1.202969810e+00 3.52 -1.161474014e+00 -1.161474014e+00 3.54 -1.121622638e+00 -1.121622638e+00 3.56 -1.083334493e+00 -1.083334493e+00 3.58 -1.046527915e+00 -1.046527915e+00 3.60 -1.011122588e+00 -1.011122588e+00 3.62 -9.770408487e-01 -9.770408487e-01 3.64 -9.442085480e-01 -9.442085480e-01 3.66 -9.125555750e-01 -9.125555750e-01 3.68 -8.820161362e-01 -8.820161362e-01 3.70 -8.525288612e-01 -8.525288612e-01 3.72 -8.240367905e-01 -8.240367905e-01 3.74 -7.964872804e-01 -7.964872804e-01 3.76 -7.698318447e-01 -7.698318447e-01 3.78 -7.440259416e-01 -7.440259416e-01 3.80 -7.190287118e-01 -7.190287118e-01 3.82 -6.948026719e-01 -6.948026719e-01 3.84 -6.713133691e-01 -6.713133691e-01 3.86 -6.485290074e-01 -6.485290074e-01 3.88 -6.264200588e-01 -6.264200588e-01 3.90 -6.049588717e-01 -6.049588717e-01 3.92 -5.841192940e-01 -5.841192940e-01 3.94 -5.638763280e-01 -5.638763280e-01 3.96 -5.442058258e-01 -5.442058258e-01 3.98 -5.250842513e-01 -5.250842513e-01 4.00 -5.064885155e-01 -5.064885155e-01 4.02 -4.883959057e-01 -4.883959057e-01 4.04 -4.707841207e-01 -4.707841207e-01 4.06 -4.536314283e-01 -4.536314283e-01 4.08 -4.369169534e-01 -4.369169534e-01 4.10 -4.206211022e-01 -4.206211022e-01 4.12 -4.047261226e-01 -4.047261226e-01 4.14 -3.892167625e-01 -3.892167625e-01 4.16 -3.740810074e-01 -3.740810074e-01 4.18 -3.593108087e-01 -3.593108087e-01 4.20 -3.449027136e-01 -3.449027136e-01 4.22 -3.308582782e-01 -3.308582782e-01 4.24 -3.171841353e-01 -3.171841353e-01 4.26 -3.038916129e-01 -3.038916129e-01 4.28 -2.909958421e-01 -2.909958421e-01 4.30 -2.785143732e-01 -2.785143732e-01 4.32 -2.664654078e-01 -2.664654078e-01 4.34 -2.548658408e-01 -2.548658408e-01 4.36 -2.437293519e-01 -2.437293519e-01 4.38 -2.330647912e-01 -2.330647912e-01 4.40 -2.228750460e-01 -2.228750460e-01 4.42 -2.131564909e-01 -2.131564909e-01 4.44 -2.038990193e-01 -2.038990193e-01 4.46 -1.950865716e-01 -1.950865716e-01 4.48 -1.866980183e-01 -1.866980183e-01 4.50 -1.787082423e-01 -1.787082423e-01 4.52 -1.710892739e-01 -1.710892739e-01 4.54 -1.638113672e-01 -1.638113672e-01 4.56 -1.568439455e-01 -1.568439455e-01 4.58 -1.501563815e-01 -1.501563815e-01 4.60 -1.437186098e-01 -1.437186098e-01 4.62 -1.375015899e-01 -1.375015899e-01 4.64 -1.314776521e-01 -1.314776521e-01 4.66 -1.256207648e-01 -1.256207648e-01 4.68 -1.199067603e-01 -1.199067603e-01 4.70 -1.143135548e-01 -1.143135548e-01 4.72 -1.088213900e-01 -1.088213900e-01 4.74 -1.034131164e-01 -1.034131164e-01 4.76 -9.807452675e-02 -9.807452675e-02 4.78 -9.279473483e-02 -9.279473483e-02 4.80 -8.756658065e-02 -8.756658065e-02 4.82 -8.238703013e-02 -8.238703013e-02 4.84 -7.725750943e-02 -7.725750943e-02 4.86 -7.218412466e-02 -7.218412466e-02 4.88 -6.717768828e-02 -6.717768828e-02 4.90 -6.225349274e-02 -6.225349274e-02 4.92 -5.743078460e-02 -5.743078460e-02 4.94 -5.273192374e-02 -5.273192374e-02 4.96 -4.818125477e-02 -4.818125477e-02 4.98 -4.380376062e-02 -4.380376062e-02 5.00 -3.962361171e-02 -3.962361171e-02 5.02 -3.566274972e-02 -3.566274972e-02 5.04 -3.193963990e-02 -3.193963990e-02 5.06 -2.846831110e-02 -2.846831110e-02 5.08 -2.525736011e-02 -2.525736011e-02 5.10 -2.231014141e-02 -2.231014141e-02 5.12 -1.962587098e-02 -1.962587098e-02 5.14 -1.719897286e-02 -1.719897286e-02 5.16 -1.501978535e-02 -1.501978535e-02 5.18 -1.307541724e-02 -1.307541724e-02 5.20 -1.135063321e-02 -1.135063321e-02 5.22 -9.828696924e-03 -9.828696924e-03 5.24 -8.492122520e-03 -8.492122520e-03 5.26 -7.323306167e-03 -7.323306167e-03 5.28 -6.305027514e-03 -6.305027514e-03 5.30 -5.420824063e-03 -5.420824063e-03 5.32 -4.655250304e-03 -4.655250304e-03 5.34 -3.994038280e-03 -3.994038280e-03 5.36 -3.424177960e-03 -3.424177960e-03 5.38 -2.933935447e-03 -2.933935447e-03 5.40 -2.512825325e-03 -2.512825325e-03 5.42 -2.151551128e-03 -2.151551128e-03 5.44 -1.841925351e-03 -1.841925351e-03 5.46 -1.576777945e-03 -1.576777945e-03 5.48 -1.349860048e-03 -1.349860048e-03 5.50 -1.155747830e-03 -1.155747830e-03 5.52 -9.897497828e-04 -9.897497828e-04 5.54 -8.478196220e-04 -8.478196220e-04 5.56 -7.264760393e-04 -7.264760393e-04 5.58 -6.227298780e-04 -6.227298780e-04 5.60 -5.340188465e-04 -5.340188465e-04 5.62 -4.581495553e-04 -4.581495553e-04 5.64 -3.932464631e-04 -3.932464631e-04 5.66 -3.377072037e-04 -3.377072037e-04 5.68 -2.901637040e-04 -2.901637040e-04 5.70 -2.494484958e-04 -2.494484958e-04 5.72 -2.145656333e-04 -2.145656333e-04 5.74 -1.846656650e-04 -1.846656650e-04 5.76 -1.590241484e-04 -1.590241484e-04 5.78 -1.370232448e-04 -1.370232448e-04 5.80 -1.181359798e-04 -1.181359798e-04 5.82 -1.019128012e-04 -1.019128012e-04 5.84 -8.797011197e-05 -8.797011197e-05 5.86 -7.598049738e-05 -7.598049738e-05 5.88 -6.566439970e-05 -6.566439970e-05 5.90 -5.678303111e-05 -5.678303111e-05 5.92 -4.913234187e-05 -4.913234187e-05 5.94 -4.253788783e-05 -4.253788783e-05 5.96 -3.685046356e-05 -3.685046356e-05 5.98 -3.194238695e-05 -3.194238695e-05 6.00 -2.770433769e-05 -2.770433769e-05