# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCu2Ni # 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 nan nan 0.98 2.381493190e+02 2.381493190e+02 1.00 2.235679346e+02 2.235679346e+02 1.02 2.098822748e+02 2.098822748e+02 1.04 1.970001315e+02 1.970001315e+02 1.06 1.848376612e+02 1.848376612e+02 1.08 1.733418479e+02 1.733418479e+02 1.10 1.624605788e+02 1.624605788e+02 1.12 1.521520979e+02 1.521520979e+02 1.14 1.423763954e+02 1.423763954e+02 1.16 1.331125259e+02 1.331125259e+02 1.18 1.243370368e+02 1.243370368e+02 1.20 1.160306081e+02 1.160306081e+02 1.22 1.081669614e+02 1.081669614e+02 1.24 1.007377952e+02 1.007377952e+02 1.26 9.372411681e+01 9.372411681e+01 1.28 8.710914811e+01 8.710914811e+01 1.30 8.087657842e+01 8.087657842e+01 1.32 7.500811959e+01 7.500811959e+01 1.34 6.949113337e+01 6.949113337e+01 1.36 6.431167464e+01 6.431167464e+01 1.38 5.945334952e+01 5.945334952e+01 1.40 5.490279451e+01 5.490279451e+01 1.42 5.064447918e+01 5.064447918e+01 1.44 4.666346834e+01 4.666346834e+01 1.46 4.294324492e+01 4.294324492e+01 1.48 3.947246093e+01 3.947246093e+01 1.50 3.624090614e+01 3.624090614e+01 1.52 3.323531412e+01 3.323531412e+01 1.54 3.044197155e+01 3.044197155e+01 1.56 2.784982175e+01 2.784982175e+01 1.58 2.544690774e+01 2.544690774e+01 1.60 2.322177168e+01 2.322177168e+01 1.62 2.116213534e+01 2.116213534e+01 1.64 1.925883719e+01 1.925883719e+01 1.66 1.750019089e+01 1.750019089e+01 1.68 1.587717524e+01 1.587717524e+01 1.70 1.438260435e+01 1.438260435e+01 1.72 1.300710647e+01 1.300710647e+01 1.74 1.172719082e+01 1.172719082e+01 1.76 1.054466675e+01 1.054466675e+01 1.78 9.464975950e+00 9.464975950e+00 1.80 8.465488372e+00 8.465488372e+00 1.82 7.512889325e+00 7.512889325e+00 1.84 6.652349168e+00 6.652349168e+00 1.86 5.844542234e+00 5.844542234e+00 1.88 5.086092805e+00 5.086092805e+00 1.90 4.375339412e+00 4.375339412e+00 1.92 3.709191953e+00 3.709191953e+00 1.94 3.084318441e+00 3.084318441e+00 1.96 2.500704728e+00 2.500704728e+00 1.98 1.954783659e+00 1.954783659e+00 2.00 1.445545146e+00 1.445545146e+00 2.02 9.718378251e-01 9.718378251e-01 2.04 5.318241209e-01 5.318241209e-01 2.06 1.240086839e-01 1.240086839e-01 2.08 -2.532552001e-01 -2.532552001e-01 2.10 -6.020716523e-01 -6.020716523e-01 2.12 -9.237927964e-01 -9.237927964e-01 2.14 -1.219872696e+00 -1.219872696e+00 2.16 -1.492064526e+00 -1.492064526e+00 2.18 -1.741404981e+00 -1.741404981e+00 2.20 -1.969079404e+00 -1.969079404e+00 2.22 -2.176376999e+00 -2.176376999e+00 2.24 -2.364434218e+00 -2.364434218e+00 2.26 -2.534331683e+00 -2.534331683e+00 2.28 -2.685781066e+00 -2.685781066e+00 2.30 -2.821258531e+00 -2.821258531e+00 2.32 -2.941846728e+00 -2.941846728e+00 2.34 -3.048244008e+00 -3.048244008e+00 2.36 -3.141541761e+00 -3.141541761e+00 2.38 -3.222587651e+00 -3.222587651e+00 2.40 -3.292171708e+00 -3.292171708e+00 2.42 -3.351241481e+00 -3.351241481e+00 2.44 -3.400299609e+00 -3.400299609e+00 2.46 -3.440021149e+00 -3.440021149e+00 2.48 -3.471149778e+00 -3.471149778e+00 2.50 -3.494145652e+00 -3.494145652e+00 2.52 -3.509582679e+00 -3.509582679e+00 2.54 -3.518223642e+00 -3.518223642e+00 2.56 -3.520433831e+00 -3.520433831e+00 2.58 -3.516635402e+00 -3.516635402e+00 2.60 -3.508561026e+00 -3.508561026e+00 2.62 -3.495709683e+00 -3.495709683e+00 2.64 -3.478137814e+00 -3.478137814e+00 2.66 -3.456242958e+00 -3.456242958e+00 2.68 -3.430399012e+00 -3.430399012e+00 2.70 -3.400957435e+00 -3.400957435e+00 2.72 -3.368248100e+00 -3.368248100e+00 2.74 -3.332290397e+00 -3.332290397e+00 2.76 -3.293486743e+00 -3.293486743e+00 2.78 -3.252318714e+00 -3.252318714e+00 2.80 -3.209054437e+00 -3.209054437e+00 2.82 -3.163896044e+00 -3.163896044e+00 2.84 -3.115748039e+00 -3.115748039e+00 2.86 -3.065872407e+00 -3.065872407e+00 2.88 -3.014817040e+00 -3.014817040e+00 2.90 -2.962769120e+00 -2.962769120e+00 2.92 -2.909962967e+00 -2.909962967e+00 2.94 -2.856468596e+00 -2.856468596e+00 2.96 -2.802714781e+00 -2.802714781e+00 2.98 -2.748515923e+00 -2.748515923e+00 3.00 -2.693992921e+00 -2.693992921e+00 3.02 -2.639260187e+00 -2.639260187e+00 3.04 -2.584703718e+00 -2.584703718e+00 3.06 -2.530616345e+00 -2.530616345e+00 3.08 -2.476568765e+00 -2.476568765e+00 3.10 -2.422650686e+00 -2.422650686e+00 3.12 -2.368937786e+00 -2.368937786e+00 3.14 -2.315499331e+00 -2.315499331e+00 3.16 -2.262398638e+00 -2.262398638e+00 3.18 -2.209693439e+00 -2.209693439e+00 3.20 -2.157436221e+00 -2.157436221e+00 3.22 -2.105674585e+00 -2.105674585e+00 3.24 -2.054451658e+00 -2.054451658e+00 3.26 -2.003806169e+00 -2.003806169e+00 3.28 -1.953772694e+00 -1.953772694e+00 3.30 -1.904382090e+00 -1.904382090e+00 3.32 -1.855658743e+00 -1.855658743e+00 3.34 -1.807651180e+00 -1.807651180e+00 3.36 -1.760324152e+00 -1.760324152e+00 3.38 -1.713650706e+00 -1.713650706e+00 3.40 -1.667535998e+00 -1.667535998e+00 3.42 -1.621900504e+00 -1.621900504e+00 3.44 -1.576868114e+00 -1.576868114e+00 3.46 -1.532649893e+00 -1.532649893e+00 3.48 -1.489272455e+00 -1.489272455e+00 3.50 -1.446711833e+00 -1.446711833e+00 3.52 -1.404964765e+00 -1.404964765e+00 3.54 -1.364036806e+00 -1.364036806e+00 3.56 -1.323924980e+00 -1.323924980e+00 3.58 -1.284628402e+00 -1.284628402e+00 3.60 -1.246145068e+00 -1.246145068e+00 3.62 -1.208466744e+00 -1.208466744e+00 3.64 -1.171590712e+00 -1.171590712e+00 3.66 -1.135514015e+00 -1.135514015e+00 3.68 -1.100227406e+00 -1.100227406e+00 3.70 -1.065721867e+00 -1.065721867e+00 3.72 -1.031987604e+00 -1.031987604e+00 3.74 -9.990148277e-01 -9.990148277e-01 3.76 -9.667868013e-01 -9.667868013e-01 3.78 -9.352930197e-01 -9.352930197e-01 3.80 -9.045241637e-01 -9.045241637e-01 3.82 -8.744823049e-01 -8.744823049e-01 3.84 -8.451241995e-01 -8.451241995e-01 3.86 -8.164181049e-01 -8.164181049e-01 3.88 -7.883558419e-01 -7.883558419e-01 3.90 -7.608993155e-01 -7.608993155e-01 3.92 -7.340862039e-01 -7.340862039e-01 3.94 -7.080317877e-01 -7.080317877e-01 3.96 -6.828347865e-01 -6.828347865e-01 3.98 -6.586352303e-01 -6.586352303e-01 4.00 -6.353640957e-01 -6.353640957e-01 4.02 -6.129539893e-01 -6.129539893e-01 4.04 -5.913850814e-01 -5.913850814e-01 4.06 -5.705031379e-01 -5.705031379e-01 4.08 -5.500418530e-01 -5.500418530e-01 4.10 -5.297703476e-01 -5.297703476e-01 4.12 -5.095281670e-01 -5.095281670e-01 4.14 -4.892125538e-01 -4.892125538e-01 4.16 -4.688213432e-01 -4.688213432e-01 4.18 -4.486725014e-01 -4.486725014e-01 4.20 -4.283568604e-01 -4.283568604e-01 4.22 -4.079722251e-01 -4.079722251e-01 4.24 -3.875995802e-01 -3.875995802e-01 4.26 -3.672861944e-01 -3.672861944e-01 4.28 -3.470397727e-01 -3.470397727e-01 4.30 -3.279880792e-01 -3.279880792e-01 4.32 -3.096749159e-01 -3.096749159e-01 4.34 -2.917511713e-01 -2.917511713e-01 4.36 -2.743101038e-01 -2.743101038e-01 4.38 -2.574137454e-01 -2.574137454e-01 4.40 -2.411065221e-01 -2.411065221e-01 4.42 -2.254183851e-01 -2.254183851e-01 4.44 -2.103674349e-01 -2.103674349e-01 4.46 -1.959621348e-01 -1.959621348e-01 4.48 -1.822031842e-01 -1.822031842e-01 4.50 -1.690850754e-01 -1.690850754e-01 4.52 -1.565974050e-01 -1.565974050e-01 4.54 -1.447259677e-01 -1.447259677e-01 4.56 -1.334536694e-01 -1.334536694e-01 4.58 -1.227612810e-01 -1.227612810e-01 4.60 -1.126280567e-01 -1.126280567e-01 4.62 -1.030322458e-01 -1.030322458e-01 4.64 -9.395150847e-02 -9.395150847e-02 4.66 -8.536325566e-02 -8.536325566e-02 4.68 -7.724491656e-02 -7.724491656e-02 4.70 -6.957415414e-02 -6.957415414e-02 4.72 -6.232903272e-02 -6.232903272e-02 4.74 -5.548814758e-02 -5.548814758e-02 4.76 -4.903072574e-02 -4.903072574e-02 4.78 -4.293901756e-02 -4.293901756e-02 4.80 -3.719297212e-02 -3.719297212e-02 4.82 -3.241665169e-02 -3.241665169e-02 4.84 -2.794863147e-02 -2.794863147e-02 4.86 -2.373016496e-02 -2.373016496e-02 4.88 -1.974777849e-02 -1.974777849e-02 4.90 -1.598858772e-02 -1.598858772e-02 4.92 -1.243952624e-02 -1.243952624e-02 4.94 -8.993304999e-03 -8.993304999e-03 4.96 -7.117347479e-03 -7.117347479e-03 4.98 -6.689096845e-03 -6.689096845e-03 5.00 -6.197798307e-03 -6.197798307e-03 5.02 -5.735700934e-03 -5.735700934e-03 5.04 -5.301751193e-03 -5.301751193e-03 5.06 -4.894273573e-03 -4.894273573e-03 5.08 -4.511690057e-03 -4.511690057e-03 5.10 -4.152514580e-03 -4.152514580e-03 5.12 -3.815347839e-03 -3.815347839e-03 5.14 -3.498872308e-03 -3.498872308e-03 5.16 -3.201847543e-03 -3.201847543e-03 5.18 -2.923105762e-03 -2.923105762e-03 5.20 -2.661547692e-03 -2.661547692e-03 5.22 -2.416138658e-03 -2.416138658e-03 5.24 -2.185904836e-03 -2.185904836e-03 5.26 -1.969929738e-03 -1.969929738e-03 5.28 -1.767350915e-03 -1.767350915e-03 5.30 -1.577356855e-03 -1.577356855e-03 5.32 -1.399184043e-03 -1.399184043e-03 5.34 -1.232114162e-03 -1.232114162e-03 5.36 -1.075471479e-03 -1.075471479e-03 5.38 -9.286203826e-04 -9.286203826e-04 5.40 -7.909630708e-04 -7.909630708e-04 5.42 -6.619373449e-04 -6.619373449e-04 5.44 -5.410145292e-04 -5.410145292e-04 5.46 -4.276975221e-04 -4.276975221e-04 5.48 -3.215189642e-04 -3.215189642e-04 5.50 -2.220395112e-04 -2.220395112e-04 5.52 -1.288461827e-04 -1.288461827e-04 5.54 -4.099235156e-05 -4.099235156e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00