# 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 = Au2Pd # 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 1.146773258e+03 0.90 1.046016857e+03 0.92 9.551578598e+02 0.94 8.730927879e+02 0.96 7.988563729e+02 0.98 7.316051606e+02 1.00 6.705980672e+02 1.02 6.151843230e+02 1.04 5.647885431e+02 1.06 5.189022616e+02 1.08 4.770751779e+02 1.10 4.389062118e+02 1.12 4.040395430e+02 1.14 3.721578440e+02 1.16 3.429771319e+02 1.18 3.162435522e+02 1.20 2.917296192e+02 1.22 2.692313514e+02 1.24 2.485643822e+02 1.26 2.295638026e+02 1.28 2.120811089e+02 1.30 1.959825844e+02 1.32 1.811464723e+02 1.34 1.674631480e+02 1.36 1.548334328e+02 1.38 1.431676994e+02 1.40 1.323846769e+02 1.42 1.224106575e+02 1.44 1.131783412e+02 1.46 1.046267254e+02 1.48 9.670022502e+01 1.50 8.934852501e+01 1.52 8.252567059e+01 1.54 7.618971969e+01 1.56 7.030245630e+01 1.58 6.482885501e+01 1.60 5.973675069e+01 1.62 5.499695940e+01 1.64 5.058246826e+01 1.66 4.646897146e+01 1.68 4.263407137e+01 1.70 3.905716379e+01 1.72 3.572205132e+01 1.74 3.261154284e+01 1.76 2.971408311e+01 1.78 2.701580632e+01 1.80 2.450354078e+01 1.82 2.216198356e+01 1.84 1.999066995e+01 1.86 1.797508386e+01 1.88 1.610550650e+01 1.90 1.437280900e+01 1.92 1.276853042e+01 1.94 1.128457761e+01 1.96 9.913316013e+00 1.98 8.647427044e+00 2.00 7.480143398e+00 2.02 6.405060898e+00 2.04 5.416122874e+00 2.06 4.507609381e+00 2.08 3.674120034e+00 2.10 2.910559260e+00 2.12 2.211977627e+00 2.14 1.573871985e+00 2.16 9.918816549e-01 2.18 4.619861677e-01 2.20 -1.913450134e-02 2.22 -4.553346296e-01 2.24 -8.498894135e-01 2.26 -1.205851769e+00 2.28 -1.526119776e+00 2.30 -1.813102910e+00 2.32 -2.069551701e+00 2.34 -2.297895402e+00 2.36 -2.500325354e+00 2.38 -2.678877738e+00 2.40 -2.835442212e+00 2.42 -2.971899257e+00 2.44 -3.089746947e+00 2.46 -3.190229467e+00 2.48 -3.275021127e+00 2.50 -3.345416878e+00 2.52 -3.402617011e+00 2.54 -3.447732488e+00 2.56 -3.481742916e+00 2.58 -3.505354410e+00 2.60 -3.519750046e+00 2.62 -3.525750245e+00 2.64 -3.524108383e+00 2.66 -3.515521465e+00 2.68 -3.500634346e+00 2.70 -3.480043665e+00 2.72 -3.454301473e+00 2.74 -3.423918531e+00 2.76 -3.389361387e+00 2.78 -3.351709847e+00 2.80 -3.311256137e+00 2.82 -3.267838553e+00 2.84 -3.221422811e+00 2.86 -3.172192842e+00 2.88 -3.120983921e+00 2.90 -3.068083371e+00 2.92 -3.014057600e+00 2.94 -2.958756268e+00 2.96 -2.902454329e+00 2.98 -2.844808066e+00 3.00 -2.786049925e+00 3.02 -2.726821384e+00 3.04 -2.667298269e+00 3.06 -2.607617238e+00 3.08 -2.547907013e+00 3.10 -2.488284949e+00 3.12 -2.428858376e+00 3.14 -2.369724747e+00 3.16 -2.310972377e+00 3.18 -2.252681955e+00 3.20 -2.194925262e+00 3.22 -2.137768201e+00 3.24 -2.081260656e+00 3.26 -2.025857935e+00 3.28 -1.971320925e+00 3.30 -1.917552944e+00 3.32 -1.864589189e+00 3.34 -1.812464571e+00 3.36 -1.761206211e+00 3.38 -1.710838323e+00 3.40 -1.661420074e+00 3.42 -1.613442543e+00 3.44 -1.566385217e+00 3.46 -1.520276743e+00 3.48 -1.475118547e+00 3.50 -1.430879827e+00 3.52 -1.387536764e+00 3.54 -1.345078054e+00 3.56 -1.303509176e+00 3.58 -1.262850977e+00 3.60 -1.223128292e+00 3.62 -1.184364020e+00 3.64 -1.146498530e+00 3.66 -1.109479911e+00 3.68 -1.073287233e+00 3.70 -1.037952032e+00 3.72 -1.003525685e+00 3.74 -9.700029964e-01 3.76 -9.372447105e-01 3.78 -9.053068397e-01 3.80 -8.742552524e-01 3.82 -8.441383100e-01 3.84 -8.149892043e-01 3.86 -7.868270839e-01 3.88 -7.596642510e-01 3.90 -7.335869495e-01 3.92 -7.086249072e-01 3.94 -6.845426358e-01 3.96 -6.611393906e-01 3.98 -6.382544106e-01 4.00 -6.157986839e-01 4.02 -5.937118304e-01 4.04 -5.719551744e-01 4.06 -5.505069187e-01 4.08 -5.293581648e-01 4.10 -5.085096638e-01 4.12 -4.879930208e-01 4.14 -4.678093872e-01 4.16 -4.478806425e-01 4.18 -4.282031764e-01 4.20 -4.088576491e-01 4.22 -3.899089610e-01 4.24 -3.714085547e-01 4.26 -3.533964211e-01 4.28 -3.359028238e-01 4.30 -3.189497800e-01 4.32 -3.025523348e-01 4.34 -2.867196534e-01 4.36 -2.714536070e-01 4.38 -2.567379632e-01 4.40 -2.425817702e-01 4.42 -2.289937565e-01 4.44 -2.159761074e-01 4.46 -2.035257232e-01 4.48 -1.916352805e-01 4.50 -1.802941230e-01 4.52 -1.694890090e-01 4.54 -1.592047354e-01 4.56 -1.494246583e-01 4.58 -1.401311223e-01 4.60 -1.313058144e-01 4.62 -1.229300551e-01 4.64 -1.149850341e-01 4.66 -1.074520018e-01 4.68 -1.003124205e-01 4.70 -9.354808489e-02 4.72 -8.714121445e-02 4.74 -8.107452454e-02 4.76 -7.533127840e-02 4.78 -6.989532337e-02 4.80 -6.473823334e-02 4.82 -6.023941804e-02 4.84 -5.612851675e-02 4.86 -5.223216620e-02 4.88 -4.853971776e-02 4.90 -4.504097380e-02 4.92 -4.172618118e-02 4.94 -3.858602258e-02 4.96 -3.561160558e-02 4.98 -3.279445056e-02 5.00 -3.012647762e-02 5.02 -2.759999310e-02 5.04 -2.520767565e-02 5.06 -2.294256134e-02 5.08 -2.079802933e-02 5.10 -1.876778758e-02 5.12 -1.684585872e-02 5.14 -1.502656613e-02 5.16 -1.330452013e-02 5.18 -1.167460484e-02 5.20 -1.013196535e-02 5.22 -8.671995433e-03 5.24 -7.290325368e-03 5.26 -5.982789926e-03 5.28 -4.746800253e-03 5.30 -3.607739647e-03 5.32 -3.181480072e-03 5.34 -2.801607901e-03 5.36 -2.449369704e-03 5.38 -2.118252381e-03 5.40 -1.807027588e-03 5.42 -1.514536036e-03 5.44 -1.239683748e-03 5.46 -9.814385256e-04 5.48 -7.388266120e-04 5.50 -5.109295181e-04 5.52 -2.968809731e-04 5.54 -9.457375102e-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