# 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 = Al2MgTa # 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 2.198214344e+02 2.198214344e+02 1.30 2.041351968e+02 2.041351968e+02 1.32 1.895998490e+02 1.895998490e+02 1.34 1.761234865e+02 1.761234865e+02 1.36 1.636220315e+02 1.636220315e+02 1.38 1.520200177e+02 1.520200177e+02 1.40 1.412497357e+02 1.412497357e+02 1.42 1.312491475e+02 1.312491475e+02 1.44 1.219596338e+02 1.219596338e+02 1.46 1.133246742e+02 1.133246742e+02 1.48 1.052901976e+02 1.052901976e+02 1.50 9.780624773e+01 9.780624773e+01 1.52 9.082850289e+01 9.082850289e+01 1.54 8.431846008e+01 8.431846008e+01 1.56 7.824244814e+01 7.824244814e+01 1.58 7.257036164e+01 7.257036164e+01 1.60 6.727468435e+01 6.727468435e+01 1.62 6.232984135e+01 6.232984135e+01 1.64 5.771176391e+01 5.771176391e+01 1.66 5.339842644e+01 5.339842644e+01 1.68 4.937262135e+01 4.937262135e+01 1.70 4.561461013e+01 4.561461013e+01 1.72 4.210572391e+01 4.210572391e+01 1.74 3.882905669e+01 3.882905669e+01 1.76 3.576922774e+01 3.576922774e+01 1.78 3.291335147e+01 3.291335147e+01 1.80 3.025093770e+01 3.025093770e+01 1.82 2.776964931e+01 2.776964931e+01 1.84 2.545783132e+01 2.545783132e+01 1.86 2.330459160e+01 2.330459160e+01 1.88 2.129973202e+01 2.129973202e+01 1.90 1.943365413e+01 1.943365413e+01 1.92 1.769725559e+01 1.769725559e+01 1.94 1.608184151e+01 1.608184151e+01 1.96 1.457907420e+01 1.457907420e+01 1.98 1.318097938e+01 1.318097938e+01 2.00 1.188000973e+01 1.188000973e+01 2.02 1.066914001e+01 1.066914001e+01 2.04 9.541947799e+00 9.541947799e+00 2.06 8.492635724e+00 8.492635724e+00 2.08 7.515985286e+00 7.515985286e+00 2.10 6.607269421e+00 6.607269421e+00 2.12 5.762160042e+00 5.762160042e+00 2.14 4.976653904e+00 4.976653904e+00 2.16 4.247022893e+00 4.247022893e+00 2.18 3.569783337e+00 3.569783337e+00 2.20 2.941677809e+00 2.941677809e+00 2.22 2.359658445e+00 2.359658445e+00 2.24 1.820867438e+00 1.820867438e+00 2.26 1.322612224e+00 1.322612224e+00 2.28 8.623376233e-01 8.623376233e-01 2.30 4.376029214e-01 4.376029214e-01 2.32 4.606645525e-02 4.606645525e-02 2.34 -3.145133990e-01 -3.145133990e-01 2.36 -6.461528950e-01 -6.461528950e-01 2.38 -9.508933146e-01 -9.508933146e-01 2.40 -1.230734641e+00 -1.230734641e+00 2.42 -1.487467226e+00 -1.487467226e+00 2.44 -1.722676902e+00 -1.722676902e+00 2.46 -1.937771742e+00 -1.937771742e+00 2.48 -2.134020345e+00 -2.134020345e+00 2.50 -2.312451738e+00 -2.312451738e+00 2.52 -2.473905693e+00 -2.473905693e+00 2.54 -2.619309469e+00 -2.619309469e+00 2.56 -2.749702373e+00 -2.749702373e+00 2.58 -2.866233592e+00 -2.866233592e+00 2.60 -2.970142273e+00 -2.970142273e+00 2.62 -3.062712104e+00 -3.062712104e+00 2.64 -3.145203254e+00 -3.145203254e+00 2.66 -3.218774659e+00 -3.218774659e+00 2.68 -3.284419973e+00 -3.284419973e+00 2.70 -3.342932705e+00 -3.342932705e+00 2.72 -3.394906633e+00 -3.394906633e+00 2.74 -3.440764288e+00 -3.440764288e+00 2.76 -3.480799896e+00 -3.480799896e+00 2.78 -3.515223452e+00 -3.515223452e+00 2.80 -3.544198181e+00 -3.544198181e+00 2.82 -3.567866232e+00 -3.567866232e+00 2.84 -3.586365920e+00 -3.586365920e+00 2.86 -3.600192796e+00 -3.600192796e+00 2.88 -3.610435312e+00 -3.610435312e+00 2.90 -3.616927931e+00 -3.616927931e+00 2.92 -3.619481476e+00 -3.619481476e+00 2.94 -3.617975189e+00 -3.617975189e+00 2.96 -3.612351781e+00 -3.612351781e+00 2.98 -3.602614917e+00 -3.602614917e+00 3.00 -3.588828263e+00 -3.588828263e+00 3.02 -3.571114476e+00 -3.571114476e+00 3.04 -3.549657047e+00 -3.549657047e+00 3.06 -3.524711669e+00 -3.524711669e+00 3.08 -3.496572986e+00 -3.496572986e+00 3.10 -3.465551038e+00 -3.465551038e+00 3.12 -3.431954013e+00 -3.431954013e+00 3.14 -3.396073414e+00 -3.396073414e+00 3.16 -3.358172196e+00 -3.358172196e+00 3.18 -3.318480035e+00 -3.318480035e+00 3.20 -3.277193384e+00 -3.277193384e+00 3.22 -3.234479821e+00 -3.234479821e+00 3.24 -3.190484552e+00 -3.190484552e+00 3.26 -3.145337176e+00 -3.145337176e+00 3.28 -3.099157276e+00 -3.099157276e+00 3.30 -3.052057997e+00 -3.052057997e+00 3.32 -3.004147448e+00 -3.004147448e+00 3.34 -2.955528214e+00 -2.955528214e+00 3.36 -2.906301336e+00 -2.906301336e+00 3.38 -2.856573959e+00 -2.856573959e+00 3.40 -2.806391150e+00 -2.806391150e+00 3.42 -2.755788282e+00 -2.755788282e+00 3.44 -2.704797482e+00 -2.704797482e+00 3.46 -2.653446085e+00 -2.653446085e+00 3.48 -2.601755515e+00 -2.601755515e+00 3.50 -2.549738324e+00 -2.549738324e+00 3.52 -2.497375496e+00 -2.497375496e+00 3.54 -2.444638232e+00 -2.444638232e+00 3.56 -2.391508440e+00 -2.391508440e+00 3.58 -2.337976631e+00 -2.337976631e+00 3.60 -2.284041073e+00 -2.284041073e+00 3.62 -2.229708285e+00 -2.229708285e+00 3.64 -2.174994607e+00 -2.174994607e+00 3.66 -2.119928503e+00 -2.119928503e+00 3.68 -2.064553261e+00 -2.064553261e+00 3.70 -2.008929678e+00 -2.008929678e+00 3.72 -1.953138346e+00 -1.953138346e+00 3.74 -1.897281116e+00 -1.897281116e+00 3.76 -1.841481376e+00 -1.841481376e+00 3.78 -1.785882838e+00 -1.785882838e+00 3.80 -1.730646676e+00 -1.730646676e+00 3.82 -1.675947001e+00 -1.675947001e+00 3.84 -1.621964880e+00 -1.621964880e+00 3.86 -1.568881292e+00 -1.568881292e+00 3.88 -1.516869575e+00 -1.516869575e+00 3.90 -1.466088020e+00 -1.466088020e+00 3.92 -1.416673127e+00 -1.416673127e+00 3.94 -1.368734896e+00 -1.368734896e+00 3.96 -1.322352499e+00 -1.322352499e+00 3.98 -1.277573347e+00 -1.277573347e+00 4.00 -1.234413335e+00 -1.234413335e+00 4.02 -1.192858947e+00 -1.192858947e+00 4.04 -1.152870766e+00 -1.152870766e+00 4.06 -1.114387962e+00 -1.114387962e+00 4.08 -1.077333400e+00 -1.077333400e+00 4.10 -1.041618705e+00 -1.041618705e+00 4.12 -1.007150903e+00 -1.007150903e+00 4.14 -9.738354921e-01 -9.738354921e-01 4.16 -9.415825792e-01 -9.415825792e-01 4.18 -9.103106201e-01 -9.103106201e-01 4.20 -8.799498300e-01 -8.799498300e-01 4.22 -8.504447235e-01 -8.504447235e-01 4.24 -8.217556324e-01 -8.217556324e-01 4.26 -7.938590646e-01 -7.938590646e-01 4.28 -7.667468207e-01 -7.667468207e-01 4.30 -7.404238809e-01 -7.404238809e-01 4.32 -7.149052007e-01 -7.149052007e-01 4.34 -6.902116923e-01 -6.902116923e-01 4.36 -6.663657912e-01 -6.663657912e-01 4.38 -6.433870726e-01 -6.433870726e-01 4.40 -6.212883751e-01 -6.212883751e-01 4.42 -6.000728035e-01 -6.000728035e-01 4.44 -5.797318384e-01 -5.797318384e-01 4.46 -5.602446082e-01 -5.602446082e-01 4.48 -5.415782234e-01 -5.415782234e-01 4.50 -5.236889552e-01 -5.236889552e-01 4.52 -5.065239840e-01 -5.065239840e-01 4.54 -4.900234401e-01 -4.900234401e-01 4.56 -4.741224973e-01 -4.741224973e-01 4.58 -4.587533458e-01 -4.587533458e-01 4.60 -4.438469412e-01 -4.438469412e-01 4.62 -4.293344878e-01 -4.293344878e-01 4.64 -4.151486697e-01 -4.151486697e-01 4.66 -4.012246715e-01 -4.012246715e-01 4.68 -3.875010554e-01 -3.875010554e-01 4.70 -3.739205598e-01 -3.739205598e-01 4.72 -3.604308876e-01 -3.604308876e-01 4.74 -3.469855318e-01 -3.469855318e-01 4.76 -3.335446737e-01 -3.335446737e-01 4.78 -3.200761603e-01 -3.200761603e-01 4.80 -3.065563602e-01 -3.065563602e-01 4.82 -2.929719839e-01 -2.929719839e-01 4.84 -2.793198631e-01 -2.793198631e-01 4.86 -2.656086051e-01 -2.656086051e-01 4.88 -2.518588842e-01 -2.518588842e-01 4.90 -2.381035241e-01 -2.381035241e-01 4.92 -2.243870302e-01 -2.243870302e-01 4.94 -2.107644822e-01 -2.107644822e-01 4.96 -1.972997546e-01 -1.972997546e-01 4.98 -1.840631037e-01 -1.840631037e-01 5.00 -1.711282357e-01 -1.711282357e-01 5.02 -1.585690501e-01 -1.585690501e-01 5.04 -1.464563027e-01 -1.464563027e-01 5.06 -1.348544531e-01 -1.348544531e-01 5.08 -1.238189534e-01 -1.238189534e-01 5.10 -1.133941797e-01 -1.133941797e-01 5.12 -1.036121337e-01 -1.036121337e-01 5.14 -9.449195329e-02 -9.449195329e-02 5.16 -8.604018518e-02 -8.604018518e-02 5.18 -7.825170470e-02 -7.825170470e-02 5.20 -7.111112344e-02 -7.111112344e-02 5.22 -6.459450821e-02 -6.459450821e-02 5.24 -5.867124194e-02 -5.867124194e-02 5.26 -5.330587198e-02 -5.330587198e-02 5.28 -4.845985397e-02 -4.845985397e-02 5.30 -4.409306802e-02 -4.409306802e-02 5.32 -4.016513347e-02 -4.016513347e-02 5.34 -3.663645084e-02 -3.663645084e-02 5.36 -3.346894773e-02 -3.346894773e-02 5.38 -3.062592459e-02 -3.062592459e-02 5.40 -2.807412257e-02 -2.807412257e-02 5.42 -2.578324300e-02 -2.578324300e-02 5.44 -2.372561634e-02 -2.372561634e-02 5.46 -2.187619645e-02 -2.187619645e-02 5.48 -2.021237637e-02 -2.021237637e-02 5.50 -1.871388533e-02 -1.871388533e-02 5.52 -1.736262934e-02 -1.736262934e-02 5.54 -1.614250182e-02 -1.614250182e-02 5.56 -1.503918371e-02 -1.503918371e-02 5.58 -1.403994699e-02 -1.403994699e-02 5.60 -1.313347081e-02 -1.313347081e-02 5.62 -1.230967503e-02 -1.230967503e-02 5.64 -1.155957355e-02 -1.155957355e-02 5.66 -1.087514695e-02 -1.087514695e-02 5.68 -1.024923298e-02 -1.024923298e-02 5.70 -9.675432338e-03 -9.675432338e-03 5.72 -9.148027348e-03 -9.148027348e-03 5.74 -8.661910853e-03 -8.661910853e-03 5.76 -8.212523465e-03 -8.212523465e-03 5.78 -7.795797447e-03 -7.795797447e-03 5.80 -7.408106099e-03 -7.408106099e-03 5.82 -7.046217832e-03 -7.046217832e-03 5.84 -6.707254431e-03 -6.707254431e-03 5.86 -6.388653192e-03 -6.388653192e-03 5.88 -6.088132737e-03 -6.088132737e-03 5.90 -5.803662393e-03 -5.803662393e-03 5.92 -5.533435045e-03 -5.533435045e-03 5.94 -5.275843349e-03 -5.275843349e-03 5.96 -5.029459231e-03 -5.029459231e-03 5.98 -4.793016511e-03 -4.793016511e-03 6.00 -4.565396525e-03 -4.565396525e-03