# 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 = Al2AuTi # 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 1.813781077e+02 1.813781077e+02 1.30 1.686754272e+02 1.686754272e+02 1.32 1.568801915e+02 1.568801915e+02 1.34 1.459194929e+02 1.459194929e+02 1.36 1.357271925e+02 1.357271925e+02 1.38 1.262432253e+02 1.262432253e+02 1.40 1.174129106e+02 1.174129106e+02 1.42 1.091861719e+02 1.091861719e+02 1.44 1.015169675e+02 1.015169675e+02 1.46 9.436330971e+01 9.436330971e+01 1.48 8.768754519e+01 8.768754519e+01 1.50 8.145616547e+01 8.145616547e+01 1.52 7.563896519e+01 7.563896519e+01 1.54 7.020797754e+01 7.020797754e+01 1.56 6.513662845e+01 6.513662845e+01 1.58 6.039934310e+01 6.039934310e+01 1.60 5.597164070e+01 5.597164070e+01 1.62 5.183055626e+01 5.183055626e+01 1.64 4.795511144e+01 4.795511144e+01 1.66 4.432655933e+01 4.432655933e+01 1.68 4.092824423e+01 4.092824423e+01 1.70 3.774838996e+01 3.774838996e+01 1.72 3.478241161e+01 3.478241161e+01 1.74 3.201604945e+01 3.201604945e+01 1.76 2.943502333e+01 2.943502333e+01 1.78 2.702823705e+01 2.702823705e+01 1.80 2.478482631e+01 2.478482631e+01 1.82 2.269308941e+01 2.269308941e+01 1.84 2.074235017e+01 2.074235017e+01 1.86 1.892290076e+01 1.892290076e+01 1.88 1.722589014e+01 1.722589014e+01 1.90 1.564318471e+01 1.564318471e+01 1.92 1.416724007e+01 1.416724007e+01 1.94 1.279102026e+01 1.279102026e+01 1.96 1.150797473e+01 1.150797473e+01 1.98 1.031204713e+01 1.031204713e+01 2.00 9.197668436e+00 9.197668436e+00 2.02 8.159707060e+00 8.159707060e+00 2.04 7.193388478e+00 7.193388478e+00 2.06 6.294217701e+00 6.294217701e+00 2.08 5.457928263e+00 5.457928263e+00 2.10 4.680459890e+00 4.680459890e+00 2.12 3.957953616e+00 3.957953616e+00 2.14 3.286752729e+00 3.286752729e+00 2.16 2.663406692e+00 2.663406692e+00 2.18 2.084679506e+00 2.084679506e+00 2.20 1.547561673e+00 1.547561673e+00 2.22 1.049279022e+00 1.049279022e+00 2.24 5.872911139e-01 5.872911139e-01 2.26 1.592761604e-01 1.592761604e-01 2.28 -2.368929035e-01 -2.368929035e-01 2.30 -6.031720710e-01 -6.031720710e-01 2.32 -9.413623198e-01 -9.413623198e-01 2.34 -1.253117238e+00 -1.253117238e+00 2.36 -1.539948801e+00 -1.539948801e+00 2.38 -1.803238534e+00 -1.803238534e+00 2.40 -2.044258191e+00 -2.044258191e+00 2.42 -2.264198283e+00 -2.264198283e+00 2.44 -2.464198699e+00 -2.464198699e+00 2.46 -2.645375541e+00 -2.645375541e+00 2.48 -2.808839622e+00 -2.808839622e+00 2.50 -2.955705374e+00 -2.955705374e+00 2.52 -3.087092057e+00 -3.087092057e+00 2.54 -3.204121393e+00 -3.204121393e+00 2.56 -3.307915351e+00 -3.307915351e+00 2.58 -3.399625943e+00 -3.399625943e+00 2.60 -3.480385033e+00 -3.480385033e+00 2.62 -3.551217767e+00 -3.551217767e+00 2.64 -3.613110307e+00 -3.613110307e+00 2.66 -3.666973729e+00 -3.666973729e+00 2.68 -3.713609225e+00 -3.713609225e+00 2.70 -3.753687062e+00 -3.753687062e+00 2.72 -3.787744598e+00 -3.787744598e+00 2.74 -3.816200837e+00 -3.816200837e+00 2.76 -3.839345315e+00 -3.839345315e+00 2.78 -3.857303488e+00 -3.857303488e+00 2.80 -3.870188912e+00 -3.870188912e+00 2.82 -3.878147634e+00 -3.878147634e+00 2.84 -3.882336339e+00 -3.882336339e+00 2.86 -3.883055837e+00 -3.883055837e+00 2.88 -3.880018783e+00 -3.880018783e+00 2.90 -3.873021745e+00 -3.873021745e+00 2.92 -3.861935092e+00 -3.861935092e+00 2.94 -3.846694060e+00 -3.846694060e+00 2.96 -3.827297461e+00 -3.827297461e+00 2.98 -3.803812687e+00 -3.803812687e+00 3.00 -3.776381894e+00 -3.776381894e+00 3.02 -3.745244737e+00 -3.745244737e+00 3.04 -3.710722161e+00 -3.710722161e+00 3.06 -3.673189092e+00 -3.673189092e+00 3.08 -3.633054623e+00 -3.633054623e+00 3.10 -3.590736478e+00 -3.590736478e+00 3.12 -3.546633938e+00 -3.546633938e+00 3.14 -3.501105098e+00 -3.501105098e+00 3.16 -3.454451739e+00 -3.454451739e+00 3.18 -3.406914004e+00 -3.406914004e+00 3.20 -3.358673064e+00 -3.358673064e+00 3.22 -3.309859398e+00 -3.309859398e+00 3.24 -3.260563646e+00 -3.260563646e+00 3.26 -3.210847615e+00 -3.210847615e+00 3.28 -3.160753955e+00 -3.160753955e+00 3.30 -3.110313863e+00 -3.110313863e+00 3.32 -3.059552845e+00 -3.059552845e+00 3.34 -3.008494856e+00 -3.008494856e+00 3.36 -2.957165255e+00 -2.957165255e+00 3.38 -2.905592973e+00 -2.905592973e+00 3.40 -2.853812155e+00 -2.853812155e+00 3.42 -2.801863550e+00 -2.801863550e+00 3.44 -2.749795456e+00 -2.749795456e+00 3.46 -2.697664522e+00 -2.697664522e+00 3.48 -2.645536021e+00 -2.645536021e+00 3.50 -2.593483531e+00 -2.593483531e+00 3.52 -2.541587806e+00 -2.541587806e+00 3.54 -2.489934690e+00 -2.489934690e+00 3.56 -2.438612091e+00 -2.438612091e+00 3.58 -2.387706239e+00 -2.387706239e+00 3.60 -2.337297714e+00 -2.337297714e+00 3.62 -2.287457813e+00 -2.287457813e+00 3.64 -2.238245853e+00 -2.238245853e+00 3.66 -2.189707701e+00 -2.189707701e+00 3.68 -2.141875614e+00 -2.141875614e+00 3.70 -2.094769104e+00 -2.094769104e+00 3.72 -2.048396494e+00 -2.048396494e+00 3.74 -2.002756734e+00 -2.002756734e+00 3.76 -1.957841217e+00 -1.957841217e+00 3.78 -1.913635393e+00 -1.913635393e+00 3.80 -1.870120144e+00 -1.870120144e+00 3.82 -1.827272930e+00 -1.827272930e+00 3.84 -1.785068742e+00 -1.785068742e+00 3.86 -1.743480925e+00 -1.743480925e+00 3.88 -1.702481896e+00 -1.702481896e+00 3.90 -1.662043767e+00 -1.662043767e+00 3.92 -1.622138856e+00 -1.622138856e+00 3.94 -1.582740213e+00 -1.582740213e+00 3.96 -1.543821780e+00 -1.543821780e+00 3.98 -1.505358706e+00 -1.505358706e+00 4.00 -1.467327454e+00 -1.467327454e+00 4.02 -1.429705893e+00 -1.429705893e+00 4.04 -1.392473415e+00 -1.392473415e+00 4.06 -1.355611157e+00 -1.355611157e+00 4.08 -1.319102402e+00 -1.319102402e+00 4.10 -1.282933132e+00 -1.282933132e+00 4.12 -1.247093271e+00 -1.247093271e+00 4.14 -1.211577351e+00 -1.211577351e+00 4.16 -1.176386276e+00 -1.176386276e+00 4.18 -1.141528746e+00 -1.141528746e+00 4.20 -1.107022701e+00 -1.107022701e+00 4.22 -1.072896475e+00 -1.072896475e+00 4.24 -1.039189406e+00 -1.039189406e+00 4.26 -1.005951649e+00 -1.005951649e+00 4.28 -9.732429981e-01 -9.732429981e-01 4.30 -9.411306406e-01 -9.411306406e-01 4.32 -9.096859132e-01 -9.096859132e-01 4.34 -8.789802883e-01 -8.789802883e-01 4.36 -8.490809801e-01 -8.490809801e-01 4.38 -8.200466371e-01 -8.200466371e-01 4.40 -7.919235983e-01 -7.919235983e-01 4.42 -7.647431027e-01 -7.647431027e-01 4.44 -7.385196948e-01 -7.385196948e-01 4.46 -7.132508808e-01 -7.132508808e-01 4.48 -6.889179248e-01 -6.889179248e-01 4.50 -6.654875430e-01 -6.654875430e-01 4.52 -6.429141955e-01 -6.429141955e-01 4.54 -6.211426657e-01 -6.211426657e-01 4.56 -6.001106672e-01 -6.001106672e-01 4.58 -5.797512841e-01 -5.797512841e-01 4.60 -5.599951307e-01 -5.599951307e-01 4.62 -5.407721865e-01 -5.407721865e-01 4.64 -5.220133200e-01 -5.220133200e-01 4.66 -5.036515487e-01 -5.036515487e-01 4.68 -4.856231089e-01 -4.856231089e-01 4.70 -4.678684098e-01 -4.678684098e-01 4.72 -4.503329442e-01 -4.503329442e-01 4.74 -4.329682133e-01 -4.329682133e-01 4.76 -4.157327018e-01 -4.157327018e-01 4.78 -3.985929161e-01 -3.985929161e-01 4.80 -3.815244143e-01 -3.815244143e-01 4.82 -3.645130937e-01 -3.645130937e-01 4.84 -3.475558461e-01 -3.475558461e-01 4.86 -3.306615797e-01 -3.306615797e-01 4.88 -3.138516228e-01 -3.138516228e-01 4.90 -2.971597295e-01 -2.971597295e-01 4.92 -2.806315039e-01 -2.806315039e-01 4.94 -2.643231586e-01 -2.643231586e-01 4.96 -2.482995786e-01 -2.482995786e-01 4.98 -2.326317346e-01 -2.326317346e-01 5.00 -2.173935745e-01 -2.173935745e-01 5.02 -2.026585941e-01 -2.026585941e-01 5.04 -1.884963470e-01 -1.884963470e-01 5.06 -1.749691743e-01 -1.749691743e-01 5.08 -1.621294198e-01 -1.621294198e-01 5.10 -1.500173435e-01 -1.500173435e-01 5.12 -1.386598645e-01 -1.386598645e-01 5.14 -1.280701680e-01 -1.280701680e-01 5.16 -1.182481224e-01 -1.182481224e-01 5.18 -1.091813760e-01 -1.091813760e-01 5.20 -1.008469562e-01 -1.008469562e-01 5.22 -9.321317870e-02 -9.321317870e-02 5.24 -8.624167866e-02 -8.624167866e-02 5.26 -7.988940792e-02 -7.988940792e-02 5.28 -7.411047763e-02 -7.411047763e-02 5.30 -6.885776650e-02 -6.885776650e-02 5.32 -6.408425694e-02 -6.408425694e-02 5.34 -5.974409040e-02 -5.974409040e-02 5.36 -5.579335037e-02 -5.579335037e-02 5.38 -5.219039191e-02 -5.219039191e-02 5.40 -4.889645726e-02 -4.889645726e-02 5.42 -4.587622543e-02 -4.587622543e-02 5.44 -4.309739696e-02 -4.309739696e-02 5.46 -4.053058946e-02 -4.053058946e-02 5.48 -3.814929013e-02 -3.814929013e-02 5.50 -3.592975174e-02 -3.592975174e-02 5.52 -3.385085800e-02 -3.385085800e-02 5.54 -3.189397784e-02 -3.189397784e-02 5.56 -3.004282029e-02 -3.004282029e-02 5.58 -2.828329763e-02 -2.828329763e-02 5.60 -2.660340464e-02 -2.660340464e-02 5.62 -2.499310940e-02 -2.499310940e-02 5.64 -2.344425396e-02 -2.344425396e-02 5.66 -2.195045918e-02 -2.195045918e-02 5.68 -2.050702632e-02 -2.050702632e-02 5.70 -1.911082702e-02 -1.911082702e-02 5.72 -1.776017334e-02 -1.776017334e-02 5.74 -1.645466113e-02 -1.645466113e-02 5.76 -1.519498258e-02 -1.519498258e-02 5.78 -1.398255715e-02 -1.398255715e-02 5.80 -1.281952270e-02 -1.281952270e-02 5.82 -1.170854395e-02 -1.170854395e-02 5.84 -1.065238147e-02 -1.065238147e-02 5.86 -9.653636809e-03 -9.653636809e-03 5.88 -8.714525853e-03 -8.714525853e-03 5.90 -7.836694814e-03 -7.836694814e-03 5.92 -7.021088809e-03 -7.021088809e-03 5.94 -6.267878032e-03 -6.267878032e-03 5.96 -5.576440729e-03 -5.576440729e-03 5.98 -4.945397168e-03 -4.945397168e-03 6.00 -4.372684937e-03 -4.372684937e-03