# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuPd2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 1.091819629e+03 0.90 9.948778176e+02 0.92 9.075643105e+02 0.94 8.287972089e+02 0.96 7.576302915e+02 0.98 6.932367191e+02 1.00 6.348896916e+02 1.02 5.819507097e+02 1.04 5.338572035e+02 1.06 4.901118467e+02 1.08 4.502748634e+02 1.10 4.139548740e+02 1.12 3.808051173e+02 1.14 3.505166526e+02 1.16 3.228143157e+02 1.18 2.974519292e+02 1.20 2.742094862e+02 1.22 2.528898221e+02 1.24 2.333147011e+02 1.26 2.153255100e+02 1.28 1.987795317e+02 1.30 1.835483915e+02 1.32 1.695158952e+02 1.34 1.565771667e+02 1.36 1.446376398e+02 1.38 1.336119517e+02 1.40 1.234223891e+02 1.42 1.139991916e+02 1.44 1.052785316e+02 1.46 9.720244827e+01 1.48 8.971831703e+01 1.50 8.277863664e+01 1.52 7.633990494e+01 1.54 7.036219679e+01 1.56 6.480943627e+01 1.58 5.964874526e+01 1.60 5.484969752e+01 1.62 5.038469534e+01 1.64 4.622819310e+01 1.66 4.235726713e+01 1.68 3.875072327e+01 1.70 3.538904428e+01 1.72 3.225429543e+01 1.74 2.932549693e+01 1.76 2.660925659e+01 1.78 2.408606746e+01 1.80 2.174370152e+01 1.82 1.957076435e+01 1.84 1.755662414e+01 1.86 1.569122436e+01 1.88 1.396502133e+01 1.90 1.236903198e+01 1.92 1.089520481e+01 1.94 9.535664220e+00 1.96 8.282978878e+00 1.98 7.130085701e+00 2.00 6.070374640e+00 2.02 5.097604242e+00 2.04 4.205879658e+00 2.06 3.389370156e+00 2.08 2.642631293e+00 2.10 1.961171877e+00 2.12 1.340216940e+00 2.14 7.754069705e-01 2.16 2.626854408e-01 2.18 -2.017936054e-01 2.20 -6.212102522e-01 2.22 -9.987189477e-01 2.24 -1.338166657e+00 2.26 -1.642445052e+00 2.28 -1.914305560e+00 2.30 -2.156383242e+00 2.32 -2.371214970e+00 2.34 -2.560764150e+00 2.36 -2.727079867e+00 2.38 -2.872057709e+00 2.40 -2.997451536e+00 2.42 -3.104944381e+00 2.44 -3.195995351e+00 2.46 -3.271356707e+00 2.48 -3.332670889e+00 2.50 -3.381403751e+00 2.52 -3.418655098e+00 2.54 -3.445432494e+00 2.56 -3.462665608e+00 2.58 -3.471212240e+00 2.60 -3.471863916e+00 2.62 -3.465351054e+00 2.64 -3.452348276e+00 2.66 -3.433782925e+00 2.68 -3.410198260e+00 2.70 -3.381818399e+00 2.72 -3.349131818e+00 2.74 -3.312591666e+00 2.76 -3.272610654e+00 2.78 -3.230119548e+00 2.80 -3.185234735e+00 2.82 -3.138074415e+00 2.84 -3.087556793e+00 2.86 -3.034509081e+00 2.88 -2.980049934e+00 2.90 -2.924175215e+00 2.92 -2.867565159e+00 2.94 -2.810145056e+00 2.96 -2.752091593e+00 2.98 -2.693572223e+00 3.00 -2.634741117e+00 3.02 -2.575739256e+00 3.04 -2.516695547e+00 3.06 -2.457727672e+00 3.08 -2.398942855e+00 3.10 -2.340438631e+00 3.12 -2.282303553e+00 3.14 -2.224617712e+00 3.16 -2.167453390e+00 3.18 -2.110875739e+00 3.20 -2.054942959e+00 3.22 -1.999707231e+00 3.24 -1.945197837e+00 3.26 -1.892330133e+00 3.28 -1.840520497e+00 3.30 -1.789498067e+00 3.32 -1.739292326e+00 3.34 -1.689929073e+00 3.36 -1.641431886e+00 3.38 -1.593828669e+00 3.40 -1.547143624e+00 3.42 -1.501606392e+00 3.44 -1.456982604e+00 3.46 -1.413275593e+00 3.48 -1.370397714e+00 3.50 -1.328272802e+00 3.52 -1.286886400e+00 3.54 -1.246330701e+00 3.56 -1.206701242e+00 3.58 -1.168066689e+00 3.60 -1.130416238e+00 3.62 -1.093713173e+00 3.64 -1.057926630e+00 3.66 -1.023032651e+00 3.68 -9.890080024e-01 3.70 -9.558456135e-01 3.72 -9.235486589e-01 3.74 -8.921191459e-01 3.76 -8.615576845e-01 3.78 -8.318381812e-01 3.80 -8.028876950e-01 3.82 -7.747184997e-01 3.84 -7.473504759e-01 3.86 -7.207970840e-01 3.88 -6.950662286e-01 3.90 -6.701118968e-01 3.92 -6.458983610e-01 3.94 -6.224953972e-01 3.96 -5.999247644e-01 3.98 -5.781133297e-01 4.00 -5.570027046e-01 4.02 -5.365473428e-01 4.04 -5.167119462e-01 4.06 -4.974915630e-01 4.08 -4.789110894e-01 4.10 -4.608640217e-01 4.12 -4.432576116e-01 4.14 -4.260227040e-01 4.16 -4.091093236e-01 4.18 -3.924705980e-01 4.20 -3.760577548e-01 4.22 -3.598941799e-01 4.24 -3.440057675e-01 4.26 -3.284150210e-01 4.28 -3.131413206e-01 4.30 -2.982011689e-01 4.32 -2.836079564e-01 4.34 -2.693425425e-01 4.36 -2.554273577e-01 4.38 -2.419057501e-01 4.40 -2.288098819e-01 4.42 -2.161625451e-01 4.44 -2.039787185e-01 4.46 -1.922669019e-01 4.48 -1.810302562e-01 4.50 -1.702675749e-01 4.52 -1.599741113e-01 4.54 -1.501422805e-01 4.56 -1.407620645e-01 4.58 -1.318061562e-01 4.60 -1.237091666e-01 4.62 -1.164120454e-01 4.64 -1.094500484e-01 4.66 -1.028263468e-01 4.68 -9.652839599e-02 4.70 -9.054343796e-02 4.72 -8.485869254e-02 4.74 -7.946146103e-02 4.76 -7.433921002e-02 4.78 -6.947963786e-02 4.80 -6.487072765e-02 4.82 -6.050078674e-02 4.84 -5.635847757e-02 4.86 -5.243283925e-02 4.88 -4.871330198e-02 4.90 -4.518969577e-02 4.92 -4.185225443e-02 4.94 -3.869161570e-02 4.96 -3.569881775e-02 4.98 -3.286529332e-02 5.00 -3.018286168e-02 5.02 -2.764371954e-02 5.04 -2.524043049e-02 5.06 -2.296591294e-02 5.08 -2.081342812e-02 5.10 -1.877656749e-02 5.12 -1.684924009e-02 5.14 -1.502565959e-02 5.16 -1.330033137e-02 5.18 -1.166803981e-02 5.20 -1.012383592e-02 5.22 -8.663025232e-03 5.24 -7.281155686e-03 5.26 -5.973985578e-03 5.28 -4.738856623e-03 5.30 -3.601084352e-03 5.32 -3.176189383e-03 5.34 -2.797465380e-03 5.36 -2.446184364e-03 5.38 -2.115856657e-03 5.40 -1.805274947e-03 5.42 -1.513298773e-03 5.44 -1.238850967e-03 5.46 -9.809143035e-04 5.48 -7.385283229e-04 5.50 -5.107863231e-04 5.52 -2.968324532e-04 5.54 -9.456881065e-05 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00