# 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 = AgAu2Pt # 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 3.694240662e+02 3.694240662e+02 1.30 3.436475837e+02 3.436475837e+02 1.32 3.196736729e+02 3.196736729e+02 1.34 2.973671255e+02 2.973671255e+02 1.36 2.766045397e+02 2.766045397e+02 1.38 2.572682651e+02 2.572682651e+02 1.40 2.392459694e+02 2.392459694e+02 1.42 2.224345655e+02 2.224345655e+02 1.44 2.067438298e+02 2.067438298e+02 1.46 1.920962024e+02 1.920962024e+02 1.48 1.784229698e+02 1.784229698e+02 1.50 1.656596289e+02 1.656596289e+02 1.52 1.537429234e+02 1.537429234e+02 1.54 1.426102591e+02 1.426102591e+02 1.56 1.322008653e+02 1.322008653e+02 1.58 1.224576002e+02 1.224576002e+02 1.60 1.133284809e+02 1.133284809e+02 1.62 1.047674319e+02 1.047674319e+02 1.64 9.673412117e+01 9.673412117e+01 1.66 8.919312887e+01 8.919312887e+01 1.68 8.211296673e+01 8.211296673e+01 1.70 7.546532630e+01 7.546532630e+01 1.72 6.922448032e+01 6.922448032e+01 1.74 6.337308496e+01 6.337308496e+01 1.76 5.790798623e+01 5.790798623e+01 1.78 5.285028616e+01 5.285028616e+01 1.80 4.818908076e+01 4.818908076e+01 1.82 4.389087436e+01 4.389087436e+01 1.84 3.992480830e+01 3.992480830e+01 1.86 3.626310956e+01 3.626310956e+01 1.88 3.288115337e+01 3.288115337e+01 1.90 2.975733216e+01 2.975733216e+01 1.92 2.687276119e+01 2.687276119e+01 1.94 2.421080155e+01 2.421080155e+01 1.96 2.175643173e+01 2.175643173e+01 1.98 1.949561652e+01 1.949561652e+01 2.00 1.741486486e+01 1.741486486e+01 2.02 1.550107093e+01 1.550107093e+01 2.04 1.374158572e+01 1.374158572e+01 2.06 1.212438857e+01 1.212438857e+01 2.08 1.063824077e+01 1.063824077e+01 2.10 9.272761007e+00 9.272761007e+00 2.12 8.018419266e+00 8.018419266e+00 2.14 6.866480115e+00 6.866480115e+00 2.16 5.808932943e+00 5.808932943e+00 2.18 4.838432918e+00 4.838432918e+00 2.20 3.948257366e+00 3.948257366e+00 2.22 3.132270704e+00 3.132270704e+00 2.24 2.384889427e+00 2.384889427e+00 2.26 1.701042164e+00 1.701042164e+00 2.28 1.076123608e+00 1.076123608e+00 2.30 5.059434277e-01 5.059434277e-01 2.32 -1.332755926e-02 -1.332755926e-02 2.34 -4.852110595e-01 -4.852110595e-01 2.36 -9.129713906e-01 -9.129713906e-01 2.38 -1.299658373e+00 -1.299658373e+00 2.40 -1.648139961e+00 -1.648139961e+00 2.42 -1.961123306e+00 -1.961123306e+00 2.44 -2.241165875e+00 -2.241165875e+00 2.46 -2.490681503e+00 -2.490681503e+00 2.48 -2.711959562e+00 -2.711959562e+00 2.50 -2.908252749e+00 -2.908252749e+00 2.52 -3.082001108e+00 -3.082001108e+00 2.54 -3.234758887e+00 -3.234758887e+00 2.56 -3.368083666e+00 -3.368083666e+00 2.58 -3.483529379e+00 -3.483529379e+00 2.60 -3.582624597e+00 -3.582624597e+00 2.62 -3.666839533e+00 -3.666839533e+00 2.64 -3.737549273e+00 -3.737549273e+00 2.66 -3.796001870e+00 -3.796001870e+00 2.68 -3.843298299e+00 -3.843298299e+00 2.70 -3.880387591e+00 -3.880387591e+00 2.72 -3.908076188e+00 -3.908076188e+00 2.74 -3.927117778e+00 -3.927117778e+00 2.76 -3.938159071e+00 -3.938159071e+00 2.78 -3.941575824e+00 -3.941575824e+00 2.80 -3.937717979e+00 -3.937717979e+00 2.82 -3.926925017e+00 -3.926925017e+00 2.84 -3.909534758e+00 -3.909534758e+00 2.86 -3.885892755e+00 -3.885892755e+00 2.88 -3.856362814e+00 -3.856362814e+00 2.90 -3.821338326e+00 -3.821338326e+00 2.92 -3.781248895e+00 -3.781248895e+00 2.94 -3.736562120e+00 -3.736562120e+00 2.96 -3.687794138e+00 -3.687794138e+00 2.98 -3.635545056e+00 -3.635545056e+00 3.00 -3.580448166e+00 -3.580448166e+00 3.02 -3.523001998e+00 -3.523001998e+00 3.04 -3.463691187e+00 -3.463691187e+00 3.06 -3.402966524e+00 -3.402966524e+00 3.08 -3.341225468e+00 -3.341225468e+00 3.10 -3.278800872e+00 -3.278800872e+00 3.12 -3.215957626e+00 -3.215957626e+00 3.14 -3.152895863e+00 -3.152895863e+00 3.16 -3.089761568e+00 -3.089761568e+00 3.18 -3.026658607e+00 -3.026658607e+00 3.20 -2.963654410e+00 -2.963654410e+00 3.22 -2.900790648e+00 -2.900790648e+00 3.24 -2.838094701e+00 -2.838094701e+00 3.26 -2.775626649e+00 -2.775626649e+00 3.28 -2.713477502e+00 -2.713477502e+00 3.30 -2.651723956e+00 -2.651723956e+00 3.32 -2.590432390e+00 -2.590432390e+00 3.34 -2.529663438e+00 -2.529663438e+00 3.36 -2.469474837e+00 -2.469474837e+00 3.38 -2.409922994e+00 -2.409922994e+00 3.40 -2.351063578e+00 -2.351063578e+00 3.42 -2.292951431e+00 -2.292951431e+00 3.44 -2.235639973e+00 -2.235639973e+00 3.46 -2.179180342e+00 -2.179180342e+00 3.48 -2.123620384e+00 -2.123620384e+00 3.50 -2.069003654e+00 -2.069003654e+00 3.52 -2.015368501e+00 -2.015368501e+00 3.54 -1.962747310e+00 -1.962747310e+00 3.56 -1.911165926e+00 -1.911165926e+00 3.58 -1.860643272e+00 -1.860643272e+00 3.60 -1.811191142e+00 -1.811191142e+00 3.62 -1.762814169e+00 -1.762814169e+00 3.64 -1.715509944e+00 -1.715509944e+00 3.66 -1.669269273e+00 -1.669269273e+00 3.68 -1.624076568e+00 -1.624076568e+00 3.70 -1.579910361e+00 -1.579910361e+00 3.72 -1.536743945e+00 -1.536743945e+00 3.74 -1.494546110e+00 -1.494546110e+00 3.76 -1.453281985e+00 -1.453281985e+00 3.78 -1.412913928e+00 -1.412913928e+00 3.80 -1.373402449e+00 -1.373402449e+00 3.82 -1.334707109e+00 -1.334707109e+00 3.84 -1.296787351e+00 -1.296787351e+00 3.86 -1.259603230e+00 -1.259603230e+00 3.88 -1.223116012e+00 -1.223116012e+00 3.90 -1.187288631e+00 -1.187288631e+00 3.92 -1.152086029e+00 -1.152086029e+00 3.94 -1.117475423e+00 -1.117475423e+00 3.96 -1.083426536e+00 -1.083426536e+00 3.98 -1.049911882e+00 -1.049911882e+00 4.00 -1.016907173e+00 -1.016907173e+00 4.02 -9.843918781e-01 -9.843918781e-01 4.04 -9.523499924e-01 -9.523499924e-01 4.06 -9.207709728e-01 -9.207709728e-01 4.08 -8.896507955e-01 -8.896507955e-01 4.10 -8.589930048e-01 -8.589930048e-01 4.12 -8.288096240e-01 -8.288096240e-01 4.14 -7.991216599e-01 -7.991216599e-01 4.16 -7.699591199e-01 -7.699591199e-01 4.18 -7.413603109e-01 -7.413603109e-01 4.20 -7.133703825e-01 -7.133703825e-01 4.22 -6.860391436e-01 -6.860391436e-01 4.24 -6.594182972e-01 -6.594182972e-01 4.26 -6.335583329e-01 -6.335583329e-01 4.28 -6.085053688e-01 -6.085053688e-01 4.30 -5.842982344e-01 -5.842982344e-01 4.32 -5.609660430e-01 -5.609660430e-01 4.34 -5.385264239e-01 -5.385264239e-01 4.36 -5.169844970e-01 -5.169844970e-01 4.38 -4.963325945e-01 -4.963325945e-01 4.40 -4.765506674e-01 -4.765506674e-01 4.42 -4.576072728e-01 -4.576072728e-01 4.44 -4.394610091e-01 -4.394610091e-01 4.46 -4.220622547e-01 -4.220622547e-01 4.48 -4.053550696e-01 -4.053550696e-01 4.50 -3.892791328e-01 -3.892791328e-01 4.52 -3.737716152e-01 -3.737716152e-01 4.54 -3.587689176e-01 -3.587689176e-01 4.56 -3.442082394e-01 -3.442082394e-01 4.58 -3.300289707e-01 -3.300289707e-01 4.60 -3.161739261e-01 -3.161739261e-01 4.62 -3.025904481e-01 -3.025904481e-01 4.64 -2.892314157e-01 -2.892314157e-01 4.66 -2.760561804e-01 -2.760561804e-01 4.68 -2.630314428e-01 -2.630314428e-01 4.70 -2.501320561e-01 -2.501320561e-01 4.72 -2.373417268e-01 -2.373417268e-01 4.74 -2.246535532e-01 -2.246535532e-01 4.76 -2.120703350e-01 -2.120703350e-01 4.78 -1.996045748e-01 -1.996045748e-01 4.80 -1.872781015e-01 -1.872781015e-01 4.82 -1.751212822e-01 -1.751212822e-01 4.84 -1.631717791e-01 -1.631717791e-01 4.86 -1.514729296e-01 -1.514729296e-01 4.88 -1.400717960e-01 -1.400717960e-01 4.90 -1.290170179e-01 -1.290170179e-01 4.92 -1.183566088e-01 -1.183566088e-01 4.94 -1.081358472e-01 -1.081358472e-01 4.96 -9.839539433e-02 -9.839539433e-02 4.98 -8.916974670e-02 -8.916974670e-02 5.00 -8.048608739e-02 -8.048608739e-02 5.02 -7.236356543e-02 -7.236356543e-02 5.04 -6.481299529e-02 -6.481299529e-02 5.06 -5.783694296e-02 -5.783694296e-02 5.08 -5.143014688e-02 -5.143014688e-02 5.10 -4.558020855e-02 -4.558020855e-02 5.12 -4.026849547e-02 -4.026849547e-02 5.14 -3.547117678e-02 -3.547117678e-02 5.16 -3.116031825e-02 -3.116031825e-02 5.18 -2.730499377e-02 -2.730499377e-02 5.20 -2.387238002e-02 -2.387238002e-02 5.22 -2.082905199e-02 -2.082905199e-02 5.24 -1.814071040e-02 -1.814071040e-02 5.26 -1.577372317e-02 -1.577372317e-02 5.28 -1.369625052e-02 -1.369625052e-02 5.30 -1.187801591e-02 -1.187801591e-02 5.32 -1.029063684e-02 -1.029063684e-02 5.34 -8.907834883e-03 -8.907834883e-03 5.36 -7.705538413e-03 -7.705538413e-03 5.38 -6.661900252e-03 -6.661900252e-03 5.40 -5.757250360e-03 -5.757250360e-03 5.42 -4.974001592e-03 -4.974001592e-03 5.44 -4.296523663e-03 -4.296523663e-03 5.46 -3.710997784e-03 -3.710997784e-03 5.48 -3.205261752e-03 -3.205261752e-03 5.50 -2.768652942e-03 -2.768652942e-03 5.52 -2.391854627e-03 -2.391854627e-03 5.54 -2.066749355e-03 -2.066749355e-03 5.56 -1.786281784e-03 -1.786281784e-03 5.58 -1.544332354e-03 -1.544332354e-03 5.60 -1.335602359e-03 -1.335602359e-03 5.62 -1.155510461e-03 -1.155510461e-03 5.64 -1.000100282e-03 -1.000100282e-03 5.66 -8.659584484e-04 -8.659584484e-04 5.68 -7.501423355e-04 -7.501423355e-04 5.70 -6.501166606e-04 -6.501166606e-04 5.72 -5.636980762e-04 -5.636980762e-04 5.74 -4.890069107e-04 -4.890069107e-04 5.76 -4.244252561e-04 -4.244252561e-04 5.78 -3.685606545e-04 -3.685606545e-04 5.80 -3.202146971e-04 -3.202146971e-04 5.82 -2.783559162e-04 -2.783559162e-04 5.84 -2.420964131e-04 -2.420964131e-04 5.86 -2.106717300e-04 -2.106717300e-04 5.88 -1.834235310e-04 -1.834235310e-04 5.90 -1.597847088e-04 -1.597847088e-04 5.92 -1.392665859e-04 -1.392665859e-04 5.94 -1.214479184e-04 -1.214479184e-04 5.96 -1.059654513e-04 -1.059654513e-04 5.98 -9.250580847e-05 -9.250580847e-05 6.00 -8.079852771e-05 -8.079852771e-05