# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Hybrid # implementation = 2013--Hale-L-M--Pd-Ag-H-Hybrid--LAMMPS--ipr1 # composition = AgPd3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 6.970421167e+03 nan nan 0.96 6.447721291e+03 nan nan 0.98 5.964541109e+03 nan nan 1.00 5.517761421e+03 nan nan 1.02 5.104078122e+03 nan nan 1.04 4.719434279e+03 6.611702968e+03 nan 1.06 4.362114929e+03 6.162602327e+03 6.811486588e+03 1.08 4.031604836e+03 5.746888868e+03 6.353791408e+03 1.10 3.727518399e+03 5.359848184e+03 5.928413790e+03 1.12 3.445749820e+03 4.998583704e+03 5.534542716e+03 1.14 3.183911822e+03 4.660596909e+03 5.169502914e+03 1.16 2.941453375e+03 4.342179961e+03 4.830699805e+03 1.18 2.715146219e+03 4.041696828e+03 4.515534062e+03 1.20 2.503836451e+03 3.759324603e+03 4.221477970e+03 1.22 2.305432301e+03 3.494348243e+03 3.946901341e+03 1.24 2.117971188e+03 3.245524469e+03 3.689860278e+03 1.26 1.940838472e+03 3.010791900e+03 3.447923925e+03 1.28 1.773900568e+03 2.790507446e+03 3.219351209e+03 1.30 1.616159336e+03 2.584881284e+03 3.003147515e+03 1.32 1.466541371e+03 2.391723852e+03 2.797286186e+03 1.34 1.325373082e+03 2.209996649e+03 2.601122228e+03 1.36 1.192978766e+03 2.038656662e+03 2.414426844e+03 1.38 1.067908650e+03 1.877328399e+03 2.237769209e+03 1.40 9.494504034e+02 1.725906925e+03 2.070156200e+03 1.42 8.373258014e+02 1.583384572e+03 1.910976468e+03 1.44 7.317587384e+02 1.448938398e+03 1.760154327e+03 1.46 6.328162315e+02 1.322576641e+03 1.617894377e+03 1.48 5.391238238e+02 1.203313653e+03 1.484491864e+03 1.50 4.499903235e+02 1.090102051e+03 1.358391563e+03 1.52 3.650631926e+02 9.827314341e+02 1.238608793e+03 1.54 2.843657394e+02 8.813904337e+02 1.125255995e+03 1.56 2.078374009e+02 7.857740351e+02 1.017625078e+03 1.58 1.353440393e+02 6.947303131e+02 9.151889705e+02 1.60 6.782785662e+01 6.075193922e+02 8.179310540e+02 1.62 4.033800057e+01 5.242377476e+02 7.255243196e+02 1.64 3.303498226e+01 4.449050874e+02 6.373087915e+02 1.66 2.969413455e+01 3.690757939e+02 5.532285899e+02 1.68 2.702728677e+01 2.965189519e+02 4.733822160e+02 1.70 2.457076580e+01 2.270285278e+02 3.974015360e+02 1.72 2.230336400e+01 1.604292250e+02 3.244787281e+02 1.74 2.020904224e+01 9.976635579e+01 2.545083480e+02 1.76 1.827065047e+01 6.563287219e+01 1.875799293e+02 1.78 1.647571996e+01 4.340640573e+01 1.237717239e+02 1.80 1.481100195e+01 3.362402043e+01 6.509536359e+01 1.82 1.326883566e+01 2.942979532e+01 4.103706389e+01 1.84 1.184042991e+01 2.674457266e+01 3.377803369e+01 1.86 1.051811627e+01 2.448185055e+01 3.047923196e+01 1.88 9.293201068e+00 2.240446749e+01 2.798981656e+01 1.90 8.153994399e+00 2.046165921e+01 2.571245351e+01 1.92 7.098829123e+00 1.864800410e+01 2.358246536e+01 1.94 6.120144269e+00 1.695373396e+01 2.159732762e+01 1.96 5.205101315e+00 1.536992498e+01 1.974996100e+01 1.98 4.348644879e+00 1.388802386e+01 1.803143920e+01 2.00 3.545473567e+00 1.250076198e+01 1.643181805e+01 2.02 2.802465846e+00 1.120234960e+01 1.492496150e+01 2.04 2.113800243e+00 9.987706071e+00 1.351161336e+01 2.06 1.476491062e+00 8.848827290e+00 1.219229721e+01 2.08 8.880863471e-01 7.774261289e+00 1.095815369e+01 2.10 3.466002674e-01 6.773857035e+00 9.803472236e+00 2.12 -1.496027224e-01 5.835169414e+00 8.723326283e+00 2.14 -6.019420240e-01 4.954878608e+00 7.713556450e+00 2.16 -1.011764153e+00 4.139743575e+00 6.770090310e+00 2.18 -1.380493116e+00 3.383901528e+00 5.887058666e+00 2.20 -1.709770531e+00 2.683989185e+00 5.060331803e+00 2.22 -2.001583609e+00 2.036689857e+00 4.287601580e+00 2.24 -2.258457904e+00 1.438925555e+00 3.564800517e+00 2.26 -2.483900611e+00 8.879511729e-01 2.888579922e+00 2.28 -2.683346093e+00 3.812417215e-01 2.255938543e+00 2.30 -2.857371454e+00 -8.403308444e-02 1.664444887e+00 2.32 -3.010028616e+00 -5.116958087e-01 1.112367035e+00 2.34 -3.146528991e+00 -9.012410679e-01 5.984527831e-01 2.36 -3.261024114e+00 -1.254912552e+00 1.208947180e-01 2.38 -3.357876995e+00 -1.574401010e+00 -3.252093192e-01 2.40 -3.439868142e+00 -1.861436698e+00 -7.454982514e-01 2.42 -3.504438956e+00 -2.117842014e+00 -1.126774722e+00 2.44 -3.553692550e+00 -2.345556363e+00 -1.472920865e+00 2.46 -3.588768688e+00 -2.546616214e+00 -1.784888785e+00 2.48 -3.610739095e+00 -2.723072511e+00 -2.064050573e+00 2.50 -3.620619170e+00 -2.876972748e+00 -2.312194348e+00 2.52 -3.619377254e+00 -3.010313640e+00 -2.531440796e+00 2.54 -3.607917644e+00 -3.124958750e+00 -2.724048924e+00 2.56 -3.587045606e+00 -3.222576071e+00 -2.892216941e+00 2.58 -3.557540930e+00 -3.304644572e+00 -3.038015558e+00 2.60 -3.520246289e+00 -3.372501023e+00 -3.163375722e+00 2.62 -3.476161446e+00 -3.427453759e+00 -3.270202796e+00 2.64 -3.426566537e+00 -3.471011928e+00 -3.360664385e+00 2.66 -3.373167656e+00 -3.505307138e+00 -3.437752870e+00 2.68 -3.317437374e+00 -3.532507292e+00 -3.504706224e+00 2.70 -3.256719377e+00 -3.548483057e+00 -3.557284848e+00 2.72 -3.192197597e+00 -3.555165519e+00 -3.597811206e+00 2.74 -3.124384903e+00 -3.553946394e+00 -3.627252750e+00 2.76 -3.053855772e+00 -3.547353742e+00 -3.646493304e+00 2.78 -2.981390270e+00 -3.540012753e+00 -3.656353549e+00 2.80 -2.908159978e+00 -3.535284938e+00 -3.657604167e+00 2.82 -2.835930326e+00 -3.519664705e+00 -3.650973469e+00 2.84 -2.767222392e+00 -3.497123885e+00 -3.637127384e+00 2.86 -2.705185976e+00 -3.468197772e+00 -3.616638879e+00 2.88 -2.640901333e+00 -3.433413907e+00 -3.590019032e+00 2.90 -2.575904137e+00 -3.393311191e+00 -3.557730443e+00 2.92 -2.510755689e+00 -3.348439816e+00 -3.520190058e+00 2.94 -2.446214127e+00 -3.299353282e+00 -3.477778312e+00 2.96 -2.383483270e+00 -3.246595845e+00 -3.430870166e+00 2.98 -2.321836303e+00 -3.190688779e+00 -3.379904783e+00 3.00 -2.259469139e+00 -3.132118476e+00 -3.325512398e+00 3.02 -2.197258775e+00 -3.071327514e+00 -3.268715997e+00 3.04 -2.135385424e+00 -3.008707961e+00 -3.211220559e+00 3.06 -2.074019710e+00 -2.944597842e+00 -3.155797135e+00 3.08 -2.013320635e+00 -2.879282362e+00 -3.106758150e+00 3.10 -1.953432362e+00 -2.813002050e+00 -3.061146794e+00 3.12 -1.894480900e+00 -2.745971199e+00 -3.009846738e+00 3.14 -1.836572203e+00 -2.678409518e+00 -2.956292471e+00 3.16 -1.779792721e+00 -2.610587533e+00 -2.900774855e+00 3.18 -1.724212184e+00 -2.542883522e+00 -2.843583905e+00 3.20 -1.669887301e+00 -2.475850171e+00 -2.785005954e+00 3.22 -1.616864699e+00 -2.410279494e+00 -2.725318273e+00 3.24 -1.565182212e+00 -2.347248988e+00 -2.664782128e+00 3.26 -1.514868734e+00 -2.288126872e+00 -2.603636368e+00 3.28 -1.465943592e+00 -2.233579534e+00 -2.542093933e+00 3.30 -1.418416356e+00 -2.177789755e+00 -2.480342576e+00 3.32 -1.372287453e+00 -2.122352572e+00 -2.418549359e+00 3.34 -1.327549350e+00 -2.067361998e+00 -2.356866946e+00 3.36 -1.284187376e+00 -2.012920428e+00 -2.295439376e+00 3.38 -1.242180167e+00 -1.959124392e+00 -2.234405676e+00 3.40 -1.201500651e+00 -1.906063168e+00 -2.173900785e+00 3.42 -1.162116777e+00 -1.853816668e+00 -2.114054154e+00 3.44 -1.123992008e+00 -1.802453090e+00 -2.054986845e+00 3.46 -1.087085769e+00 -1.752027076e+00 -1.996808065e+00 3.48 -1.051353941e+00 -1.702579022e+00 -1.939611798e+00 3.50 -1.016749060e+00 -1.654135858e+00 -1.883473125e+00 3.52 -9.832207497e-01 -1.606713050e+00 -1.828446202e+00 3.54 -9.507168541e-01 -1.560317231e+00 -1.774565533e+00 3.56 -9.191846362e-01 -1.514948792e+00 -1.721849172e+00 3.58 -8.885719512e-01 -1.470603958e+00 -1.670303797e+00 3.60 -8.588283368e-01 -1.427276208e+00 -1.619931669e+00 3.62 -8.299059815e-01 -1.384957074e+00 -1.570739343e+00 3.64 -8.017605330e-01 -1.343636543e+00 -1.522747831e+00 3.66 -7.743517132e-01 -1.303303225e+00 -1.476003787e+00 3.68 -7.476437181e-01 -1.263944461e+00 -1.430591198e+00 3.70 -7.216053878e-01 -1.225546216e+00 -1.386643124e+00 3.72 -6.962101430e-01 -1.188092568e+00 -1.344353200e+00 3.74 -6.714356986e-01 -1.151565916e+00 -1.303987083e+00 3.76 -6.472635719e-01 -1.115947514e+00 -1.265894561e+00 3.78 -6.236784164e-01 -1.081217985e+00 -1.230523086e+00 3.80 -6.006672250e-01 -1.047357805e+00 -1.195913791e+00 3.82 -5.782184650e-01 -1.014347726e+00 -1.161939448e+00 3.84 -5.563211970e-01 -9.821691432e-01 -1.128853760e+00 3.86 -5.349642394e-01 -9.508043854e-01 -1.096659102e+00 3.88 -5.141354332e-01 -9.202369258e-01 -1.065356648e+00 3.90 -4.938211148e-01 -8.904515055e-01 -1.034946023e+00 3.92 -4.740058096e-01 -8.614341667e-01 -1.005424730e+00 3.94 -4.546721454e-01 -8.331721974e-01 -9.767873858e-01 3.96 -4.358010915e-01 -8.056539904e-01 -9.490248869e-01 3.98 -4.173724528e-01 -7.788688244e-01 -9.221236624e-01 4.00 -3.993655204e-01 -7.528065777e-01 -8.960652050e-01 4.02 -3.817599938e-01 -7.274573885e-01 -8.708259956e-01 4.04 -3.645368360e-01 -7.028112764e-01 -8.463778463e-01 4.06 -3.476792130e-01 -6.788577480e-01 -8.226885820e-01 4.08 -3.311731871e-01 -6.555854032e-01 -7.997229087e-01 4.10 -3.150082647e-01 -6.329815648e-01 -7.774433132e-01 4.12 -2.991775481e-01 -6.110319529e-01 -7.558108728e-01 4.14 -2.836777035e-01 -5.897204220e-01 -7.347859252e-01 4.16 -2.685085578e-01 -5.690287800e-01 -7.143285884e-01 4.18 -2.536728488e-01 -5.489366825e-01 -6.943991635e-01 4.20 -2.391762176e-01 -5.294216411e-01 -6.749584533e-01 4.22 -2.250283116e-01 -5.104591403e-01 -6.559680449e-01 4.24 -2.112459445e-01 -4.920228153e-01 -6.373905975e-01 4.26 -1.978596695e-01 -4.740847547e-01 -6.191901008e-01 4.28 -1.849260230e-01 -4.566158928e-01 -6.013319315e-01 4.30 -1.725480847e-01 -4.395864155e-01 -5.837830301e-01 4.32 -1.609079189e-01 -4.229663261e-01 -5.665122747e-01 4.34 -1.503154721e-01 -4.067259853e-01 -5.494908065e-01 4.36 -1.412801501e-01 -3.908368118e-01 -5.326923923e-01 4.38 -1.329714249e-01 -3.752720413e-01 -5.160936871e-01 4.40 -1.243197908e-01 -3.600076997e-01 -4.996744627e-01 4.42 -1.159441341e-01 -3.450238003e-01 -4.834178234e-01 4.44 -1.078441144e-01 -3.303059894e-01 -4.673102753e-01 4.46 -1.000156180e-01 -3.158477333e-01 -4.513418579e-01 4.48 -9.245103731e-02 -3.016534486e-01 -4.355060717e-01 4.50 -8.513991762e-02 -2.877428275e-01 -4.197998912e-01 4.52 -7.807005100e-02 -2.741569577e-01 -4.042235674e-01 4.54 -7.122906834e-02 -2.609668741e-01 -3.887805214e-01 4.56 -6.460649452e-02 -2.482853183e-01 -3.734770286e-01 4.58 -5.819661145e-02 -2.362828856e-01 -3.583220125e-01 4.60 -5.200183755e-02 -2.252097596e-01 -3.433266347e-01 4.62 -4.603331567e-02 -2.154242021e-01 -3.285039991e-01 4.64 -4.032440566e-02 -2.066918302e-01 -3.138687071e-01 4.66 -3.493309035e-02 -1.973048788e-01 -2.994364670e-01 4.68 -2.994340912e-02 -1.880457456e-01 -2.852236915e-01 4.70 -2.547118801e-02 -1.789284667e-01 -2.712470235e-01 4.72 -2.166975618e-02 -1.699651087e-01 -2.575230052e-01 4.74 -1.873601979e-02 -1.611672652e-01 -2.440676218e-01 4.76 -1.691604554e-02 -1.525458148e-01 -2.308959733e-01 4.78 -1.651130590e-02 -1.441106860e-01 -2.180219740e-01 4.80 -1.606217550e-02 -1.358707086e-01 -2.054580105e-01 4.82 -1.524485364e-02 -1.278334804e-01 -1.932147545e-01 4.84 -1.444127646e-02 -1.200052542e-01 -1.813009750e-01 4.86 -1.365118278e-02 -1.123908889e-01 -1.697233504e-01 4.88 -1.287512124e-02 -1.049938169e-01 -1.584864145e-01 4.90 -1.211460911e-02 -9.781603762e-02 -1.475925195e-01 4.92 -1.136804638e-02 -9.085813756e-02 -1.370418002e-01 4.94 -1.063396439e-02 -8.411933482e-02 -1.268322265e-01 4.96 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