# 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 = PdTi3 # 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 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.436780339e+02 nan nan 1.16 3.166345714e+02 nan nan 1.18 2.917851587e+02 nan nan 1.20 2.689352300e+02 nan nan 1.22 2.479081717e+02 nan nan 1.24 2.285443450e+02 nan nan 1.26 2.106996341e+02 nan nan 1.28 1.942436122e+02 2.986044587e+02 3.416024204e+02 1.30 1.790582088e+02 2.769966018e+02 3.174682317e+02 1.32 1.650367589e+02 2.569833540e+02 2.950850514e+02 1.34 1.520832762e+02 2.384373846e+02 2.743119244e+02 1.36 1.401116486e+02 2.212408379e+02 2.550207250e+02 1.38 1.290442926e+02 2.052850458e+02 2.370958127e+02 1.40 1.188106063e+02 1.904708125e+02 2.204329633e+02 1.42 1.093457361e+02 1.767084163e+02 2.049376626e+02 1.44 1.005897284e+02 1.639171896e+02 1.905233218e+02 1.46 9.248700386e+01 1.520247042e+02 1.771099742e+02 1.48 8.498611995e+01 1.409655065e+02 1.646236445e+02 1.50 7.803975172e+01 1.306796866e+02 1.529961206e+02 1.52 7.160468136e+01 1.211116898e+02 1.421647134e+02 1.54 6.564150790e+01 1.122095549e+02 1.320717961e+02 1.56 6.011410128e+01 1.039245208e+02 1.226641941e+02 1.58 5.498913236e+01 9.621086448e+01 1.138926242e+02 1.60 5.023589151e+01 8.902592639e+01 1.057113518e+02 1.62 4.582629508e+01 8.233033216e+01 9.807808424e+01 1.64 4.173480224e+01 7.608824647e+01 9.095394590e+01 1.66 3.793811699e+01 7.026735157e+01 8.430332699e+01 1.68 3.441510645e+01 6.483845104e+01 7.809354172e+01 1.70 3.115260371e+01 5.977488652e+01 7.229443391e+01 1.72 2.814349114e+01 5.505199642e+01 6.687807398e+01 1.74 2.536880485e+01 5.064672294e+01 6.181851913e+01 1.76 2.281055430e+01 4.653737378e+01 5.709156111e+01 1.78 2.045203558e+01 4.270351275e+01 5.267448057e+01 1.80 1.827781647e+01 3.912594601e+01 4.854588004e+01 1.82 1.627374634e+01 3.578679498e+01 4.468563258e+01 1.84 1.442691732e+01 3.267020146e+01 4.107494181e+01 1.86 1.272553420e+01 2.977112128e+01 3.769646155e+01 1.88 1.115873559e+01 2.707918412e+01 3.453455522e+01 1.90 9.716453154e+00 2.457977570e+01 3.157766101e+01 1.92 8.389353406e+00 2.225942134e+01 2.882372394e+01 1.94 7.168831171e+00 2.010568942e+01 2.626092984e+01 1.96 6.046995702e+00 1.810710307e+01 2.387673824e+01 1.98 5.016619984e+00 1.625305284e+01 2.165936437e+01 2.00 4.071057775e+00 1.453369793e+01 1.959771542e+01 2.02 3.204144112e+00 1.293985306e+01 1.768136781e+01 2.04 2.410101944e+00 1.146288444e+01 1.590055380e+01 2.06 1.683476232e+00 1.009465180e+01 1.424614629e+01 2.08 1.019110419e+00 8.827513557e+00 1.270964099e+01 2.10 4.121589668e-01 7.654371132e+00 1.128313155e+01 2.12 -1.418843388e-01 6.568702339e+00 9.959271046e+00 2.14 -6.471628361e-01 5.564549218e+00 8.731217976e+00 2.16 -1.107450317e+00 4.636462093e+00 7.592573577e+00 2.18 -1.526164102e+00 3.779422741e+00 6.537323853e+00 2.20 -1.906397460e+00 2.988768031e+00 5.559800401e+00 2.22 -2.250961672e+00 2.260122719e+00 4.654670792e+00 2.24 -2.562428380e+00 1.589346606e+00 3.816951634e+00 2.26 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-4.582462706e+00 -4.229810896e+00 -3.846579542e+00 2.64 -4.572968954e+00 -4.319668156e+00 -3.980643193e+00 2.66 -4.557995430e+00 -4.397432082e+00 -4.099434375e+00 2.68 -4.537505614e+00 -4.463887058e+00 -4.204116025e+00 2.70 -4.511538220e+00 -4.519772065e+00 -4.295749089e+00 2.72 -4.480210028e+00 -4.565879587e+00 -4.375307332e+00 2.74 -4.443698420e+00 -4.602871741e+00 -4.443694311e+00 2.76 -4.402227068e+00 -4.631255080e+00 -4.501756343e+00 2.78 -4.356053970e+00 -4.651507461e+00 -4.550289014e+00 2.80 -4.305480536e+00 -4.664106414e+00 -4.590150330e+00 2.82 -4.250854385e+00 -4.669527090e+00 -4.622043774e+00 2.84 -4.192522538e+00 -4.668243301e+00 -4.646472246e+00 2.86 -4.130824633e+00 -4.660734202e+00 -4.663929324e+00 2.88 -4.066092572e+00 -4.647719609e+00 -4.674897917e+00 2.90 -3.998649034e+00 -4.629515237e+00 -4.679848850e+00 2.92 -3.928805244e+00 -4.606165082e+00 -4.679237364e+00 2.94 -3.856857154e+00 -4.577769560e+00 -4.673499078e+00 2.96 -3.783081356e+00 -4.544508323e+00 -4.663251400e+00 2.98 -3.707734220e+00 -4.506627219e+00 -4.648735558e+00 3.00 -3.631055184e+00 -4.464427070e+00 -4.629880797e+00 3.02 -3.553274778e+00 -4.418252603e+00 -4.606667008e+00 3.04 -3.474625553e+00 -4.368489325e+00 -4.579118748e+00 3.06 -3.395352675e+00 -4.315568447e+00 -4.547297366e+00 3.08 -3.315720458e+00 -4.259908433e+00 -4.511294840e+00 3.10 -3.236011813e+00 -4.201888721e+00 -4.471228452e+00 3.12 -3.156519591e+00 -4.141837655e+00 -4.427236046e+00 3.14 -3.077531501e+00 -4.080029113e+00 -4.379483644e+00 3.16 -2.999312712e+00 -4.016685852e+00 -4.328174983e+00 3.18 -2.922090993e+00 -3.951989234e+00 -4.273520612e+00 3.20 -2.846047923e+00 -3.886090250e+00 -4.215733970e+00 3.22 -2.771317075e+00 -3.819119851e+00 -4.155033778e+00 3.24 -2.697987681e+00 -3.751196992e+00 -4.091648053e+00 3.26 -2.626111258e+00 -3.682434008e+00 -4.025820167e+00 3.28 -2.555709030e+00 -3.612939700e+00 -3.957815352e+00 3.30 -2.486778941e+00 -3.542820743e+00 -3.887926200e+00 3.32 -2.419301950e+00 -3.472182091e+00 -3.816474866e+00 3.34 -2.353247540e+00 -3.401126926e+00 -3.743809823e+00 3.36 -2.288578854e+00 -3.329756574e+00 -3.670295974e+00 3.38 -2.225256394e+00 -3.258170725e+00 -3.596298726e+00 3.40 -2.163241542e+00 -3.186468141e+00 -3.522164716e+00 3.42 -2.102498721e+00 -3.114748228e+00 -3.448203256e+00 3.44 -2.042997049e+00 -3.043112881e+00 -3.374672525e+00 3.46 -1.984710611e+00 -2.971669194e+00 -3.301773041e+00 3.48 -1.927618786e+00 -2.900531948e+00 -3.229648730e+00 3.50 -1.871705742e+00 -2.829825415e+00 -3.158393775e+00 3.52 -1.816960111e+00 -2.759683569e+00 -3.088063636e+00 3.54 -1.763373766e+00 -2.690247945e+00 -3.018685083e+00 3.56 -1.710941361e+00 -2.621662796e+00 -2.950266902e+00 3.58 -1.659659466e+00 -2.554067944e+00 -2.882807534e+00 3.60 -1.609525827e+00 -2.487590455e+00 -2.816300576e+00 3.62 -1.560538672e+00 -2.422336795e+00 -2.750738191e+00 3.64 -1.512696070e+00 -2.358387097e+00 -2.686112904e+00 3.66 -1.465995325e+00 -2.295792610e+00 -2.622418297e+00 3.68 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-1.630869305e+00 4.04 -7.769460606e-01 -1.335466931e+00 -1.584396483e+00 4.06 -7.493976657e-01 -1.295186495e+00 -1.538894851e+00 4.08 -7.225217045e-01 -1.255870693e+00 -1.494389421e+00 4.10 -6.962968190e-01 -1.217524888e+00 -1.450906269e+00 4.12 -6.707059133e-01 -1.180155506e+00 -1.408470422e+00 4.14 -6.457368871e-01 -1.143767720e+00 -1.367103409e+00 4.16 -6.213832079e-01 -1.108365163e+00 -1.326820848e+00 4.18 -5.976442076e-01 -1.073948512e+00 -1.287630436e+00 4.20 -5.745248503e-01 -1.040514450e+00 -1.249530654e+00 4.22 -5.520357513e-01 -1.008054897e+00 -1.212510356e+00 4.24 -5.301911510e-01 -9.765565880e-01 -1.176549231e+00 4.26 -5.090079768e-01 -9.460010491e-01 -1.141618972e+00 4.28 -4.885036866e-01 -9.163649452e-01 -1.107684915e+00 4.30 -4.686940790e-01 -8.876207253e-01 -1.074707869e+00 4.32 -4.495911313e-01 -8.597374716e-01 -1.042645908e+00 4.34 -4.312011123e-01 -8.326818448e-01 -1.011455974e+00 4.36 -4.135231534e-01 -8.064190266e-01 -9.810951885e-01 4.38 -3.965485935e-01 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-9.866315873e-03 -3.605663497e-02 -5.393943571e-02 5.82 -9.025204280e-03 -3.302510606e-02 -4.941489576e-02 5.84 -8.221957343e-03 -3.011990499e-02 -4.507680169e-02 5.86 -7.459410360e-03 -2.735367699e-02 -4.094443351e-02 5.88 -6.739996144e-03 -2.473727913e-02 -3.703436333e-02 5.90 -6.065609881e-03 -2.227931814e-02 -3.335977178e-02 5.92 -5.437514382e-03 -1.998575269e-02 -2.992980503e-02 5.94 -4.856289845e-03 -1.785970396e-02 -2.674927018e-02 5.96 -4.321827799e-03 -1.590189297e-02 -2.381955188e-02 5.98 -3.833364787e-03 -1.411044062e-02 -2.113810353e-02 6.00 -3.389548272e-03 -1.248111177e-02 -1.869872598e-02