# 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 = AlFe2Mo # 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 1.807322786e+02 1.807322786e+02 1.30 1.659378898e+02 1.659378898e+02 1.32 1.523277405e+02 1.523277405e+02 1.34 1.397982753e+02 1.397982753e+02 1.36 1.282561483e+02 1.282561483e+02 1.38 1.176176719e+02 1.176176719e+02 1.40 1.078078285e+02 1.078078285e+02 1.42 9.875914639e+01 9.875914639e+01 1.44 9.041059974e+01 9.041059974e+01 1.46 8.270675465e+01 8.270675465e+01 1.48 7.559745814e+01 7.559745814e+01 1.50 6.903785949e+01 6.903785949e+01 1.52 6.298805044e+01 6.298805044e+01 1.54 5.741200964e+01 5.741200964e+01 1.56 5.227632569e+01 5.227632569e+01 1.58 4.754929511e+01 4.754929511e+01 1.60 4.320053118e+01 4.320053118e+01 1.62 3.920088298e+01 3.920088298e+01 1.64 3.552247769e+01 3.552247769e+01 1.66 3.213899657e+01 3.213899657e+01 1.68 2.902795649e+01 2.902795649e+01 1.70 2.616702179e+01 2.616702179e+01 1.72 2.353642687e+01 2.353642687e+01 1.74 2.111882922e+01 2.111882922e+01 1.76 1.889659087e+01 1.889659087e+01 1.78 1.685336887e+01 1.685336887e+01 1.80 1.497407885e+01 1.497407885e+01 1.82 1.324501728e+01 1.324501728e+01 1.84 1.165401185e+01 1.165401185e+01 1.86 1.019044773e+01 1.019044773e+01 1.88 8.845097630e+00 8.845097630e+00 1.90 7.609783196e+00 7.609783196e+00 1.92 6.476968943e+00 6.476968943e+00 1.94 5.439412497e+00 5.439412497e+00 1.96 4.489964133e+00 4.489964133e+00 1.98 3.621542450e+00 3.621542450e+00 2.00 2.827245691e+00 2.827245691e+00 2.02 2.100520392e+00 2.100520392e+00 2.04 1.435308138e+00 1.435308138e+00 2.06 8.261197119e-01 8.261197119e-01 2.08 2.680294659e-01 2.680294659e-01 2.10 -2.433813711e-01 -2.433813711e-01 2.12 -7.120929491e-01 -7.120929491e-01 2.14 -1.141699345e+00 -1.141699345e+00 2.16 -1.535438163e+00 -1.535438163e+00 2.18 -1.896204967e+00 -1.896204967e+00 2.20 -2.226565602e+00 -2.226565602e+00 2.22 -2.528776761e+00 -2.528776761e+00 2.24 -2.804818269e+00 -2.804818269e+00 2.26 -3.056433864e+00 -3.056433864e+00 2.28 -3.285173644e+00 -3.285173644e+00 2.30 -3.492431765e+00 -3.492431765e+00 2.32 -3.679474432e+00 -3.679474432e+00 2.34 -3.847326559e+00 -3.847326559e+00 2.36 -3.997121225e+00 -3.997121225e+00 2.38 -4.130029088e+00 -4.130029088e+00 2.40 -4.247124854e+00 -4.247124854e+00 2.42 -4.349414606e+00 -4.349414606e+00 2.44 -4.437860296e+00 -4.437860296e+00 2.46 -4.513399838e+00 -4.513399838e+00 2.48 -4.576935278e+00 -4.576935278e+00 2.50 -4.629168623e+00 -4.629168623e+00 2.52 -4.670756315e+00 -4.670756315e+00 2.54 -4.702413048e+00 -4.702413048e+00 2.56 -4.724894087e+00 -4.724894087e+00 2.58 -4.738974690e+00 -4.738974690e+00 2.60 -4.745426322e+00 -4.745426322e+00 2.62 -4.744988870e+00 -4.744988870e+00 2.64 -4.738507789e+00 -4.738507789e+00 2.66 -4.727381983e+00 -4.727381983e+00 2.68 -4.711849738e+00 -4.711849738e+00 2.70 -4.691917542e+00 -4.691917542e+00 2.72 -4.667556889e+00 -4.667556889e+00 2.74 -4.638717097e+00 -4.638717097e+00 2.76 -4.605338015e+00 -4.605338015e+00 2.78 -4.567366979e+00 -4.567366979e+00 2.80 -4.524792747e+00 -4.524792747e+00 2.82 -4.477626341e+00 -4.477626341e+00 2.84 -4.425743956e+00 -4.425743956e+00 2.86 -4.368919425e+00 -4.368919425e+00 2.88 -4.307015466e+00 -4.307015466e+00 2.90 -4.239988823e+00 -4.239988823e+00 2.92 -4.167886040e+00 -4.167886040e+00 2.94 -4.090839667e+00 -4.090839667e+00 2.96 -4.009064369e+00 -4.009064369e+00 2.98 -3.922852126e+00 -3.922852126e+00 3.00 -3.832565387e+00 -3.832565387e+00 3.02 -3.738626870e+00 -3.738626870e+00 3.04 -3.641504883e+00 -3.641504883e+00 3.06 -3.541694031e+00 -3.541694031e+00 3.08 -3.439692493e+00 -3.439692493e+00 3.10 -3.335979044e+00 -3.335979044e+00 3.12 -3.230993778e+00 -3.230993778e+00 3.14 -3.125126494e+00 -3.125126494e+00 3.16 -3.018714837e+00 -3.018714837e+00 3.18 -2.912052029e+00 -2.912052029e+00 3.20 -2.805401461e+00 -2.805401461e+00 3.22 -2.699014175e+00 -2.699014175e+00 3.24 -2.593145159e+00 -2.593145159e+00 3.26 -2.488065279e+00 -2.488065279e+00 3.28 -2.384067200e+00 -2.384067200e+00 3.30 -2.281465134e+00 -2.281465134e+00 3.32 -2.180589457e+00 -2.180589457e+00 3.34 -2.081777969e+00 -2.081777969e+00 3.36 -1.985365678e+00 -1.985365678e+00 3.38 -1.891674725e+00 -1.891674725e+00 3.40 -1.801005475e+00 -1.801005475e+00 3.42 -1.713629173e+00 -1.713629173e+00 3.44 -1.629782049e+00 -1.629782049e+00 3.46 -1.549660606e+00 -1.549660606e+00 3.48 -1.473417773e+00 -1.473417773e+00 3.50 -1.401159867e+00 -1.401159867e+00 3.52 -1.332944539e+00 -1.332944539e+00 3.54 -1.268780013e+00 -1.268780013e+00 3.56 -1.208625963e+00 -1.208625963e+00 3.58 -1.152396228e+00 -1.152396228e+00 3.60 -1.099963311e+00 -1.099963311e+00 3.62 -1.051164412e+00 -1.051164412e+00 3.64 -1.005808521e+00 -1.005808521e+00 3.66 -9.636840251e-01 -9.636840251e-01 3.68 -9.245662416e-01 -9.245662416e-01 3.70 -8.882244400e-01 -8.882244400e-01 3.72 -8.544280209e-01 -8.544280209e-01 3.74 -8.229515474e-01 -8.229515474e-01 3.76 -7.935784338e-01 -7.935784338e-01 3.78 -7.661046092e-01 -7.661046092e-01 3.80 -7.403396657e-01 -7.403396657e-01 3.82 -7.161077163e-01 -7.161077163e-01 3.84 -6.932476965e-01 -6.932476965e-01 3.86 -6.716130973e-01 -6.716130973e-01 3.88 -6.510712934e-01 -6.510712934e-01 3.90 -6.315026107e-01 -6.315026107e-01 3.92 -6.127992401e-01 -6.127992401e-01 3.94 -5.948641185e-01 -5.948641185e-01 3.96 -5.776097779e-01 -5.776097779e-01 3.98 -5.609573141e-01 -5.609573141e-01 4.00 -5.448354464e-01 -5.448354464e-01 4.02 -5.291797314e-01 -5.291797314e-01 4.04 -5.139319554e-01 -5.139319554e-01 4.06 -4.990397241e-01 -4.990397241e-01 4.08 -4.844562662e-01 -4.844562662e-01 4.10 -4.701404433e-01 -4.701404433e-01 4.12 -4.560570276e-01 -4.560570276e-01 4.14 -4.421770429e-01 -4.421770429e-01 4.16 -4.284783663e-01 -4.284783663e-01 4.18 -4.149463214e-01 -4.149463214e-01 4.20 -4.015742394e-01 -4.015742394e-01 4.22 -3.883638420e-01 -3.883638420e-01 4.24 -3.753253060e-01 -3.753253060e-01 4.26 -3.624768764e-01 -3.624768764e-01 4.28 -3.498439286e-01 -3.498439286e-01 4.30 -3.374574449e-01 -3.374574449e-01 4.32 -3.253519557e-01 -3.253519557e-01 4.34 -3.135630865e-01 -3.135630865e-01 4.36 -3.021249321e-01 -3.021249321e-01 4.38 -2.910675227e-01 -2.910675227e-01 4.40 -2.804146460e-01 -2.804146460e-01 4.42 -2.701822362e-01 -2.701822362e-01 4.44 -2.603774553e-01 -2.603774553e-01 4.46 -2.509984875e-01 -2.509984875e-01 4.48 -2.420349742e-01 -2.420349742e-01 4.50 -2.334689571e-01 -2.334689571e-01 4.52 -2.252761334e-01 -2.252761334e-01 4.54 -2.174272690e-01 -2.174272690e-01 4.56 -2.098896151e-01 -2.098896151e-01 4.58 -2.026282453e-01 -2.026282453e-01 4.60 -1.956072141e-01 -1.956072141e-01 4.62 -1.887903691e-01 -1.887903691e-01 4.64 -1.821423630e-01 -1.821423630e-01 4.66 -1.756295628e-01 -1.756295628e-01 4.68 -1.692201273e-01 -1.692201273e-01 4.70 -1.628845136e-01 -1.628845136e-01 4.72 -1.565959380e-01 -1.565959380e-01 4.74 -1.503308202e-01 -1.503308202e-01 4.76 -1.440692359e-01 -1.440692359e-01 4.78 -1.377953901e-01 -1.377953901e-01 4.80 -1.314980967e-01 -1.314980967e-01 4.82 -1.251712798e-01 -1.251712798e-01 4.84 -1.188143666e-01 -1.188143666e-01 4.86 -1.124326418e-01 -1.124326418e-01 4.88 -1.060374098e-01 -1.060374098e-01 4.90 -9.964593989e-02 -9.964593989e-02 4.92 -9.328113402e-02 -9.328113402e-02 4.94 -8.697088029e-02 -8.697088029e-02 4.96 -8.074708577e-02 -8.074708577e-02 4.98 -7.464441655e-02 -7.464441655e-02 5.00 -6.869881153e-02 -6.869881153e-02 5.02 -6.294586999e-02 -6.294586999e-02 5.04 -5.741923560e-02 -5.741923560e-02 5.06 -5.214910584e-02 -5.214910584e-02 5.08 -4.716098437e-02 -4.716098437e-02 5.10 -4.247476612e-02 -4.247476612e-02 5.12 -3.810420570e-02 -3.810420570e-02 5.14 -3.405677701e-02 -3.405677701e-02 5.16 -3.033389350e-02 -3.033389350e-02 5.18 -2.693142102e-02 -2.693142102e-02 5.20 -2.384040908e-02 -2.384040908e-02 5.22 -2.104795583e-02 -2.104795583e-02 5.24 -1.853811889e-02 -1.853811889e-02 5.26 -1.629275913e-02 -1.629275913e-02 5.28 -1.429183055e-02 -1.429183055e-02 5.30 -1.251557719e-02 -1.251557719e-02 5.32 -1.094435065e-02 -1.094435065e-02 5.34 -9.558787052e-03 -9.558787052e-03 5.36 -8.340232943e-03 -8.340232943e-03 5.38 -7.271043148e-03 -7.271043148e-03 5.40 -6.334771345e-03 -6.334771345e-03 5.42 -5.516274220e-03 -5.516274220e-03 5.44 -4.801748734e-03 -4.801748734e-03 5.46 -4.178719685e-03 -4.178719685e-03 5.48 -3.635992019e-03 -3.635992019e-03 5.50 -3.163579635e-03 -3.163579635e-03 5.52 -2.752619912e-03 -2.752619912e-03 5.54 -2.395280955e-03 -2.395280955e-03 5.56 -2.084666727e-03 -2.084666727e-03 5.58 -1.814723722e-03 -1.814723722e-03 5.60 -1.580151638e-03 -1.580151638e-03 5.62 -1.376319621e-03 -1.376319621e-03 5.64 -1.199188937e-03 -1.199188937e-03 5.66 -1.045242466e-03 -1.045242466e-03 5.68 -9.114210360e-04 -9.114210360e-04 5.70 -7.950663997e-04 -7.950663997e-04 5.72 -6.938704820e-04 -6.938704820e-04 5.74 -6.058304579e-04 -6.058304579e-04 5.76 -5.292091645e-04 -5.292091645e-04 5.78 -4.625003420e-04 -4.625003420e-04 5.80 -4.043982078e-04 -4.043982078e-04 5.82 -3.537708918e-04 -3.537708918e-04 5.84 -3.096372905e-04 -3.096372905e-04 5.86 -2.711469355e-04 -2.711469355e-04 5.88 -2.375625078e-04 -2.375625078e-04 5.90 -2.082446694e-04 -2.082446694e-04 5.92 -1.826389150e-04 -1.826389150e-04 5.94 -1.602641849e-04 -1.602641849e-04 5.96 -1.407030076e-04 -1.407030076e-04 5.98 -1.235929711e-04 -1.235929711e-04 6.00 -1.086193452e-04 -1.086193452e-04