# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu3Pd # 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 3.505801639e+02 nan nan 0.88 3.191577262e+02 nan nan 0.90 2.909932156e+02 nan nan 0.92 2.656854444e+02 nan nan 0.94 2.428773159e+02 nan nan 0.96 2.222680783e+02 3.182593820e+02 3.576225176e+02 0.98 2.036104081e+02 2.926057805e+02 3.292246041e+02 1.00 1.866784963e+02 2.693414117e+02 3.034549472e+02 1.02 1.712848676e+02 2.481864451e+02 2.800127473e+02 1.04 1.572572616e+02 2.289119357e+02 2.586361645e+02 1.06 1.444630141e+02 2.113078209e+02 2.391012846e+02 1.08 1.327687831e+02 1.952021840e+02 2.212110571e+02 1.10 1.220662378e+02 1.804434018e+02 2.047959672e+02 1.12 1.122609923e+02 1.668934760e+02 1.897100670e+02 1.14 1.032665263e+02 1.544264176e+02 1.758240266e+02 1.16 9.501118300e+01 1.429418944e+02 1.630201268e+02 1.18 8.742680132e+01 1.323535418e+02 1.512010047e+02 1.20 8.045007634e+01 1.225799885e+02 1.402814698e+02 1.22 7.402518297e+01 1.135418723e+02 1.301771241e+02 1.24 6.810793722e+01 1.051848247e+02 1.208225919e+02 1.26 6.265351924e+01 9.744967465e+01 1.121546472e+02 1.28 5.761900178e+01 9.028568799e+01 1.041179051e+02 1.30 5.297415566e+01 8.364362043e+01 9.665499719e+01 1.32 4.868789594e+01 7.748032431e+01 8.972682953e+01 1.34 4.473087322e+01 7.176124225e+01 8.329163116e+01 1.36 4.107252332e+01 6.645186123e+01 7.731120905e+01 1.38 3.768996068e+01 6.151848656e+01 7.174686015e+01 1.40 3.456409079e+01 5.693569218e+01 6.656572176e+01 1.42 3.167575051e+01 5.267703337e+01 6.174560119e+01 1.44 2.900570751e+01 4.871740649e+01 5.725755456e+01 1.46 2.653715644e+01 4.503246729e+01 5.307821005e+01 1.48 2.425230973e+01 4.160464148e+01 4.918620612e+01 1.50 2.214082220e+01 3.841797684e+01 4.556016704e+01 1.52 2.018958645e+01 3.545477258e+01 4.218172960e+01 1.54 1.838553302e+01 3.269773466e+01 3.903513090e+01 1.56 1.672054530e+01 3.013350408e+01 3.610414524e+01 1.58 1.518407680e+01 2.774883718e+01 3.337103039e+01 1.60 1.372056393e+01 2.553192283e+01 3.082415195e+01 1.62 1.238269554e+01 2.347108360e+01 2.845130288e+01 1.64 1.112017677e+01 2.155548270e+01 2.624116344e+01 1.66 9.930366689e+00 1.977345685e+01 2.418080540e+01 1.68 8.810629935e+00 1.811496170e+01 2.226029547e+01 1.70 7.759059163e+00 1.657589423e+01 2.047199481e+01 1.72 6.773075869e+00 1.513061435e+01 1.880703298e+01 1.74 5.850167673e+00 1.379531098e+01 1.725635464e+01 1.76 4.986947669e+00 1.251535756e+01 1.581476224e+01 1.78 4.181321516e+00 1.133026055e+01 1.447371051e+01 1.80 3.431591450e+00 1.020990532e+01 1.317433248e+01 1.82 2.734190634e+00 9.151943676e+00 1.198356948e+01 1.84 2.087256764e+00 8.153957360e+00 1.085582319e+01 1.86 1.488711878e+00 7.213663592e+00 9.788640098e+00 1.88 9.363041911e-01 6.328848950e+00 8.777908585e+00 1.90 4.276007192e-01 5.497349194e+00 7.821530719e+00 1.92 -3.968514448e-02 4.716883919e+00 6.919744416e+00 1.94 -4.678308003e-01 3.984148356e+00 6.070496626e+00 1.96 -8.590457717e-01 3.298860317e+00 5.271781096e+00 1.98 -1.215771772e+00 2.657859614e+00 4.521629453e+00 2.00 -1.537859585e+00 2.059813456e+00 3.818107606e+00 2.02 -1.829179357e+00 1.503368808e+00 3.158669481e+00 2.04 -2.091837309e+00 9.865694602e-01 2.541323291e+00 2.06 -2.327624178e+00 5.073744905e-01 1.965120300e+00 2.08 -2.538254715e+00 6.385790723e-02 1.428228912e+00 2.10 -2.725367480e+00 -3.455692564e-01 9.288242734e-01 2.12 -2.890761682e+00 -7.229064001e-01 4.651228386e-01 2.14 -3.035802539e+00 -1.069694246e+00 3.538535308e-02 2.16 -3.161733138e+00 -1.387592048e+00 -3.620801822e-01 2.18 -3.270574218e+00 -1.676801946e+00 -7.289653488e-01 2.20 -3.362969963e+00 -1.939967885e+00 -1.066826732e+00 2.22 -3.439557607e+00 -2.178959644e+00 -1.377702154e+00 2.24 -3.502274451e+00 -2.395177690e+00 -1.661776610e+00 2.26 -3.551978921e+00 -2.589966299e+00 -1.921224036e+00 2.28 -3.589689096e+00 -2.764613784e+00 -2.157578324e+00 2.30 -3.616360992e+00 -2.920372030e+00 -2.372141479e+00 2.32 -3.633016409e+00 -3.058232103e+00 -2.566164195e+00 2.34 -3.640591121e+00 -3.179425185e+00 -2.740846123e+00 2.36 -3.639643035e+00 -3.285080247e+00 -2.897336367e+00 2.38 -3.630888204e+00 -3.376220516e+00 -3.036742188e+00 2.40 -3.614831601e+00 -3.453825990e+00 -3.160100912e+00 2.42 -3.592368384e+00 -3.518003570e+00 -3.268387764e+00 2.44 -3.564119660e+00 -3.570326537e+00 -3.362564796e+00 2.46 -3.530661315e+00 -3.611814682e+00 -3.443548201e+00 2.48 -3.492673066e+00 -3.643423456e+00 -3.512068195e+00 2.50 -3.450952480e+00 -3.666263367e+00 -3.569246231e+00 2.52 -3.405485617e+00 -3.680461100e+00 -3.615710805e+00 2.54 -3.356717731e+00 -3.686690798e+00 -3.652221700e+00 2.56 -3.303623339e+00 -3.685581482e+00 -3.679487687e+00 2.58 -3.247066982e+00 -3.677686486e+00 -3.698180607e+00 2.60 -3.188464037e+00 -3.665298382e+00 -3.708936765e+00 2.62 -3.128120305e+00 -3.647627424e+00 -3.712358304e+00 2.64 -3.066300455e+00 -3.624711820e+00 -3.709014630e+00 2.66 -3.004672410e+00 -3.597077968e+00 -3.699567169e+00 2.68 -2.942595626e+00 -3.565161777e+00 -3.684302852e+00 2.70 -2.879694910e+00 -3.529320251e+00 -3.663761157e+00 2.72 -2.816182076e+00 -3.489942911e+00 -3.638428570e+00 2.74 -2.752047103e+00 -3.447394505e+00 -3.608730079e+00 2.76 -2.687645280e+00 -3.402022156e+00 -3.575065114e+00 2.78 -2.623382643e+00 -3.353876695e+00 -3.537808899e+00 2.80 -2.559191616e+00 -3.301889937e+00 -3.497313571e+00 2.82 -2.495201308e+00 -3.248064850e+00 -3.453909267e+00 2.84 -2.431530176e+00 -3.192643357e+00 -3.407912348e+00 2.86 -2.368285044e+00 -3.135862083e+00 -3.359353206e+00 2.88 -2.305561931e+00 -3.077938266e+00 -3.309419153e+00 2.90 -2.243446829e+00 -3.019073269e+00 -3.257762877e+00 2.92 -2.182016429e+00 -2.959453456e+00 -3.204547792e+00 2.94 -2.121339953e+00 -2.899251034e+00 -3.149990068e+00 2.96 -2.061723600e+00 -2.838620307e+00 -3.094291084e+00 2.98 -2.002958956e+00 -2.777678643e+00 -3.037638191e+00 3.00 -1.945093050e+00 -2.715940530e+00 -2.980205479e+00 3.02 -1.888166545e+00 -2.654181062e+00 -2.922154454e+00 3.04 -1.832214461e+00 -2.593118382e+00 -2.863628882e+00 3.06 -1.777263329e+00 -2.533021540e+00 -2.804818828e+00 3.08 -1.723638837e+00 -2.473184432e+00 -2.745609825e+00 3.10 -1.671067884e+00 -2.413704234e+00 -2.686156645e+00 3.12 -1.619469518e+00 -2.354659824e+00 -2.626745456e+00 3.14 -1.568782982e+00 -2.296122460e+00 -2.567473240e+00 3.16 -1.518830945e+00 -2.238156286e+00 -2.508431777e+00 3.18 -1.469636000e+00 -2.180818827e+00 -2.449704063e+00 3.20 -1.421507842e+00 -2.124161448e+00 -2.391365638e+00 3.22 -1.374556020e+00 -2.068229837e+00 -2.333485077e+00 3.24 -1.328724815e+00 -2.013062000e+00 -2.276124430e+00 3.26 -1.283983524e+00 -1.958986723e+00 -2.219339673e+00 3.28 -1.240333307e+00 -1.905832801e+00 -2.163181130e+00 3.30 -1.197768743e+00 -1.853517020e+00 -2.107693772e+00 3.32 -1.156233925e+00 -1.802061824e+00 -2.052917595e+00 3.34 -1.115677197e+00 -1.751486164e+00 -1.998888059e+00 3.36 -1.076092513e+00 -1.701837033e+00 -1.945636508e+00 3.38 -1.037513068e+00 -1.653075195e+00 -1.893189986e+00 3.40 -9.999697508e-01 -1.605141544e+00 -1.841571998e+00 3.42 -9.634662548e-01 -1.557948233e+00 -1.790798674e+00 3.44 -9.279693358e-01 -1.511357586e+00 -1.740898677e+00 3.46 -8.934527133e-01 -1.465504931e+00 -1.691900490e+00 3.48 -8.599010885e-01 -1.420634313e+00 -1.643735421e+00 3.50 -8.273006919e-01 -1.376781809e+00 -1.596384150e+00 3.52 -7.956202809e-01 -1.333901578e+00 -1.550452564e+00 3.54 -7.648356149e-01 -1.291971336e+00 -1.505116018e+00 3.56 -7.349408341e-01 -1.250990582e+00 -1.460542270e+00 3.58 -7.059289336e-01 -1.210958376e+00 -1.416923983e+00 3.60 -6.777670902e-01 -1.171844604e+00 -1.374254801e+00 3.62 -6.503694946e-01 -1.133601423e+00 -1.332497267e+00 3.64 -6.236939645e-01 -1.096198407e+00 -1.291637380e+00 3.66 -5.978096496e-01 -1.059645007e+00 -1.251674397e+00 3.68 -5.727668191e-01 -1.023969445e+00 -1.212608476e+00 3.70 -5.485998270e-01 -9.891956662e-01 -1.174412381e+00 3.72 -5.253424695e-01 -9.553194867e-01 -1.137041256e+00 3.74 -5.030127192e-01 -9.223097874e-01 -1.100465600e+00 3.76 -4.816684791e-01 -8.901498301e-01 -1.064827087e+00 3.78 -4.611807010e-01 -8.588279481e-01 -1.030094400e+00 3.80 -4.413229098e-01 -8.283327715e-01 -9.962057132e-01 3.82 -4.219280527e-01 -7.986326484e-01 -9.631642217e-01 3.84 -4.028766831e-01 -7.697115895e-01 -9.309418904e-01 3.86 -3.840871459e-01 -7.415650783e-01 -8.995224005e-01 3.88 -3.655074564e-01 -7.141892761e-01 -8.688952404e-01 3.90 -3.471086079e-01 -6.875720492e-01 -8.390516952e-01 3.92 -3.288748485e-01 -6.616373666e-01 -8.099695348e-01 3.94 -3.107915372e-01 -6.363139320e-01 -7.816255127e-01 3.96 -2.928848506e-01 -6.116600293e-01 -7.540156781e-01 3.98 -2.751194167e-01 -5.877233832e-01 -7.271368729e-01 4.00 -2.576027237e-01 -5.645385031e-01 -7.009854894e-01 4.02 -2.404570038e-01 -5.421287632e-01 -6.755282775e-01 4.04 -2.237614462e-01 -5.205154801e-01 -6.506584224e-01 4.06 -2.102209944e-01 -4.997420900e-01 -6.263966125e-01 4.08 -1.973765792e-01 -4.798568104e-01 -6.027936573e-01 4.10 -1.850476411e-01 -4.606758451e-01 -5.798874993e-01 4.12 -1.732312760e-01 -4.420210481e-01 -5.577051557e-01 4.14 -1.619277466e-01 -4.237589223e-01 -5.362644013e-01 4.16 -1.511327273e-01 -4.057922524e-01 -5.155891559e-01 4.18 -1.408382561e-01 -3.880530669e-01 -4.957346829e-01 4.20 -1.310335319e-01 -3.704967360e-01 -4.766943965e-01 4.22 -1.217055794e-01 -3.530970418e-01 -4.582803685e-01 4.24 -1.128398028e-01 -3.358420786e-01 -4.403415807e-01 4.26 -1.044204419e-01 -3.187248471e-01 -4.227646581e-01 4.28 -9.643095142e-02 -3.016712301e-01 -4.054669280e-01 4.30 -8.885430750e-02 -2.860330442e-01 -3.883905459e-01 4.32 -8.167326009e-02 -2.711293429e-01 -3.714975556e-01 4.34 -7.487053541e-02 -2.564694441e-01 -3.547657440e-01 4.36 -6.842899817e-02 -2.421373118e-01 -3.381851788e-01 4.38 -6.233177997e-02 -2.281868328e-01 -3.217528883e-01 4.40 -5.656204952e-02 -2.146583844e-01 -3.054601190e-01 4.42 -5.105428018e-02 -2.015810900e-01 -2.892920701e-01 4.44 -4.672959076e-02 -1.889747204e-01 -2.732668575e-01 4.46 -4.307686889e-02 -1.768513127e-01 -2.574909007e-01 4.48 -3.960500423e-02 -1.652165507e-01 -2.420490258e-01 4.50 -3.631898541e-02 -1.540709372e-01 -2.270067571e-01 4.52 -3.320955053e-02 -1.434107874e-01 -2.124134545e-01 4.54 -3.026769564e-02 -1.332290684e-01 -1.983049957e-01 4.56 -2.748479403e-02 -1.235161059e-01 -1.847060644e-01 4.58 -2.485259568e-02 -1.142609435e-01 -1.716321052e-01 4.60 -2.236322247e-02 -1.056087090e-01 -1.590909780e-01 4.62 -2.000916153e-02 -9.752988029e-02 -1.470843660e-01 4.64 -1.778325672e-02 -8.984547534e-02 -1.356089661e-01 4.66 -1.567869862e-02 -8.254062372e-02 -1.246574946e-01 4.68 -1.368901345e-02 -7.560024758e-02 -1.142195327e-01 4.70 -1.180805124e-02 -6.900922673e-02 -1.042822358e-01 4.72 -1.002997355e-02 -6.275253290e-02 -9.483092743e-02 4.74 -8.342929343e-03 -5.681533790e-02 -8.584959379e-02 4.76 -7.330260929e-03 -5.118309715e-02 -7.732129101e-02 4.78 -6.376266956e-03 -4.584161623e-02 -6.922848285e-02 4.80 -5.470759253e-03 -4.077710116e-02 -6.155331676e-02 4.82 -4.611329388e-03 -3.597619542e-02 -5.427784815e-02 4.84 -3.795685286e-03 -3.142600598e-02 -4.738422106e-02 4.86 -3.021645802e-03 -2.711411994e-02 -4.085481147e-02 4.88 -2.287135843e-03 -2.302861510e-02 -3.467234196e-02 4.90 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