# 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 = Pd3Pt # 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 1.239352238e+03 nan nan 0.88 1.125950204e+03 nan nan 0.90 1.024104763e+03 nan nan 0.92 9.324902936e+02 nan nan 0.94 8.499501786e+02 nan nan 0.96 7.754751420e+02 1.122809320e+03 1.263434417e+03 0.98 7.081820460e+02 1.029107872e+03 1.159351687e+03 1.00 6.472938528e+02 9.440946701e+02 1.064834859e+03 1.02 5.921283708e+02 8.668625086e+02 9.788913695e+02 1.04 5.420835582e+02 7.966123254e+02 9.006438971e+02 1.06 4.966281275e+02 7.326367656e+02 8.293187315e+02 1.08 4.552909938e+02 6.743063205e+02 7.642263797e+02 1.10 4.176551425e+02 6.210636424e+02 7.047570395e+02 1.12 3.833504502e+02 5.724121650e+02 6.503653767e+02 1.14 3.520484535e+02 5.279079729e+02 6.005657051e+02 1.16 3.234550268e+02 4.871564595e+02 5.549238967e+02 1.18 2.973091708e+02 4.498037938e+02 5.130509036e+02 1.20 2.733775295e+02 4.155326808e+02 4.745988727e+02 1.22 2.514510215e+02 3.840580344e+02 4.392551305e+02 1.24 2.313431873e+02 3.551250810e+02 4.067379366e+02 1.26 2.128865110e+02 3.285047233e+02 3.767953228e+02 1.28 1.959302927e+02 3.039906874e+02 3.491995663e+02 1.30 1.803390038e+02 2.813960835e+02 3.237448357e+02 1.32 1.659914719e+02 2.605538352e+02 3.002460375e+02 1.34 1.527781111e+02 2.413125770e+02 2.785355653e+02 1.36 1.405996440e+02 2.235354310e+02 2.584617908e+02 1.38 1.293669592e+02 2.070985064e+02 2.398867993e+02 1.40 1.189996925e+02 1.918891837e+02 2.226860685e+02 1.42 1.094247998e+02 1.778054925e+02 2.067468642e+02 1.44 1.005760873e+02 1.647555728e+02 1.919664243e+02 1.46 9.239292617e+01 1.526553124e+02 1.782512958e+02 1.48 8.482107090e+01 1.414283079e+02 1.655157856e+02 1.50 7.781113672e+01 1.310053352e+02 1.536823731e+02 1.52 7.131807593e+01 1.213230829e+02 1.426810285e+02 1.54 6.530069649e+01 1.123235470e+02 1.324470589e+02 1.56 5.972148496e+01 1.039536570e+02 1.229215417e+02 1.58 5.454601935e+01 9.616532512e+01 1.140508203e+02 1.60 4.974304883e+01 8.891493939e+01 1.057855546e+02 1.62 4.528409836e+01 8.216214662e+01 9.808026478e+01 1.64 4.114291807e+01 7.586977872e+01 9.089387675e+01 1.66 3.729624736e+01 7.000403446e+01 8.418838690e+01 1.68 3.372606654e+01 6.453377191e+01 7.792880757e+01 1.70 3.040633992e+01 5.943033913e+01 7.208280151e+01 1.72 2.734342343e+01 5.466737437e+01 6.662114175e+01 1.74 2.451199489e+01 5.022060203e+01 6.151663389e+01 1.76 2.189669014e+01 4.606764836e+01 5.674420954e+01 1.78 1.948277151e+01 4.218756731e+01 5.228039457e+01 1.80 1.725661249e+01 3.856145203e+01 4.810399835e+01 1.82 1.520547374e+01 3.517443810e+01 4.419546973e+01 1.84 1.331738713e+01 3.201097342e+01 4.053656896e+01 1.86 1.158115994e+01 2.905963143e+01 3.711117686e+01 1.88 9.986215270e+00 2.631926220e+01 3.390665448e+01 1.90 8.522603804e+00 2.377069315e+01 3.090227577e+01 1.92 7.181394580e+00 2.140218582e+01 2.810864889e+01 1.94 5.953912608e+00 1.920246879e+01 2.550478154e+01 1.96 4.831894227e+00 1.716094854e+01 2.307914499e+01 1.98 3.807747440e+00 1.526766740e+01 2.082088640e+01 2.00 2.874520156e+00 1.351326418e+01 1.871979303e+01 2.02 2.025972790e+00 1.188893748e+01 1.676543415e+01 2.04 1.256189350e+00 1.038641137e+01 1.494932049e+01 2.06 5.592010929e-01 8.997660564e+00 1.326307287e+01 2.08 -7.036683545e-02 7.715151794e+00 1.169866799e+01 2.10 -6.375393425e-01 6.532410841e+00 1.024854796e+01 2.12 -1.147012002e+00 5.442420323e+00 8.905593059e+00 2.14 -1.603170682e+00 4.439370985e+00 7.663096216e+00 2.16 -2.009922732e+00 3.517785735e+00 6.514740138e+00 2.18 -2.370266294e+00 2.672293734e+00 5.454359198e+00 2.20 -2.688790035e+00 1.897845305e+00 4.476498984e+00 2.22 -2.968820850e+00 1.189939153e+00 3.575927315e+00 2.24 -3.213456734e+00 5.438851040e-01 2.747673480e+00 2.26 -3.425582110e+00 -4.452356875e-02 1.987056422e+00 2.28 -3.608188951e+00 -5.792360926e-01 1.289878853e+00 2.30 -3.763336875e+00 -1.064044969e+00 6.518363717e-01 2.32 -3.893851557e+00 -1.502599879e+00 6.898491915e-02 2.34 -4.002218502e+00 -1.897815386e+00 -4.623545873e-01 2.36 -4.089663678e+00 -2.252345527e+00 -9.456430683e-01 2.38 -4.158305987e+00 -2.569143503e+00 -1.384780666e+00 2.40 -4.209856082e+00 -2.851373315e+00 -1.782866320e+00 2.42 -4.244859510e+00 -3.101569884e+00 -2.141590544e+00 2.44 -4.265431890e+00 -3.322107911e+00 -2.463602821e+00 2.46 -4.273075732e+00 -3.515211174e+00 -2.751998339e+00 2.48 -4.269048729e+00 -3.682871673e+00 -3.009158977e+00 2.50 -4.254513236e+00 -3.826968403e+00 -3.237320490e+00 2.52 -4.230542823e+00 -3.949484607e+00 -3.438580766e+00 2.54 -4.198128395e+00 -4.052123593e+00 -3.614909985e+00 2.56 -4.158183942e+00 -4.136476652e+00 -3.767961834e+00 2.58 -4.111551900e+00 -4.204029564e+00 -3.899602714e+00 2.60 -4.059008175e+00 -4.256170177e+00 -4.011508266e+00 2.62 -4.001265092e+00 -4.293946635e+00 -4.105196509e+00 2.64 -3.938934163e+00 -4.318295073e+00 -4.182088534e+00 2.66 -3.872433508e+00 -4.331225699e+00 -4.244031765e+00 2.68 -3.802810952e+00 -4.333812971e+00 -4.292248732e+00 2.70 -3.730311261e+00 -4.326631023e+00 -4.326904543e+00 2.72 -3.655400225e+00 -4.310585594e+00 -4.349234142e+00 2.74 -3.578489995e+00 -4.286518871e+00 -4.360593213e+00 2.76 -3.500097445e+00 -4.255222115e+00 -4.361928061e+00 2.78 -3.418638452e+00 -4.218973493e+00 -4.354121190e+00 2.80 -3.335711837e+00 -4.177807604e+00 -4.337995522e+00 2.82 -3.252319533e+00 -4.131303072e+00 -4.314318007e+00 2.84 -3.169266687e+00 -4.080043565e+00 -4.283803027e+00 2.86 -3.087202326e+00 -4.024578194e+00 -4.247115614e+00 2.88 -3.005254451e+00 -3.965248174e+00 -4.204874481e+00 2.90 -2.923616859e+00 -3.902120537e+00 -4.157654884e+00 2.92 -2.842463583e+00 -3.836198212e+00 -4.105991317e+00 2.94 -2.761954542e+00 -3.767887618e+00 -4.050383209e+00 2.96 -2.683121071e+00 -3.697557031e+00 -3.991201396e+00 2.98 -2.605131307e+00 -3.625554232e+00 -3.928411497e+00 3.00 -2.528098230e+00 -3.551998692e+00 -3.862917460e+00 3.02 -2.452121459e+00 -3.476589017e+00 -3.795159312e+00 3.04 -2.377288380e+00 -3.399254592e+00 -3.725475033e+00 3.06 -2.303675492e+00 -3.321347247e+00 -3.654181445e+00 3.08 -2.231672869e+00 -3.243196795e+00 -3.584430270e+00 3.10 -2.160989673e+00 -3.164981266e+00 -3.512841241e+00 3.12 -2.091674092e+00 -3.086877468e+00 -3.438869645e+00 3.14 -2.023766791e+00 -3.009044035e+00 -3.364162497e+00 3.16 -1.957300605e+00 -2.931624431e+00 -3.289055303e+00 3.18 -1.892300528e+00 -2.854748031e+00 -3.213717047e+00 3.20 -1.828789103e+00 -2.778531147e+00 -3.138323036e+00 3.22 -1.766778999e+00 -2.703077996e+00 -3.063031119e+00 3.24 -1.706275671e+00 -2.628471682e+00 -2.987985076e+00 3.26 -1.647289750e+00 -2.555984014e+00 -2.913315566e+00 3.28 -1.589816489e+00 -2.484864659e+00 -2.839141002e+00 3.30 -1.533780411e+00 -2.414731450e+00 -2.765568386e+00 3.32 -1.479135674e+00 -2.345645859e+00 -2.692694142e+00 3.34 -1.425930779e+00 -2.277661679e+00 -2.620604847e+00 3.36 -1.374173516e+00 -2.210825077e+00 -2.549377764e+00 3.38 -1.323747663e+00 -2.145176070e+00 -2.479081659e+00 3.40 -1.274531928e+00 -2.080747965e+00 -2.409777599e+00 3.42 -1.226556977e+00 -2.017568832e+00 -2.341518890e+00 3.44 -1.179938757e+00 -1.955661137e+00 -2.274352303e+00 3.46 -1.134763723e+00 -1.895042037e+00 -2.208318340e+00 3.48 -1.091032011e+00 -1.835726768e+00 -2.143451246e+00 3.50 -1.048691039e+00 -1.777724875e+00 -2.079780564e+00 3.52 -1.007702284e+00 -1.721037124e+00 -2.017329961e+00 3.54 -9.680213054e-01 -1.665671711e+00 -1.956119402e+00 3.56 -9.296094739e-01 -1.611632466e+00 -1.896162902e+00 3.58 -8.924412036e-01 -1.558871945e+00 -1.837474814e+00 3.60 -8.564980358e-01 -1.507334280e+00 -1.780061445e+00 3.62 -8.217617659e-01 -1.457018077e+00 -1.723923800e+00 3.64 -7.881772479e-01 -1.407943959e+00 -1.669067255e+00 3.66 -7.556661903e-01 -1.360072053e+00 -1.615500024e+00 3.68 -7.241854075e-01 -1.313312689e+00 -1.563168480e+00 3.70 -6.937729783e-01 -1.267617968e+00 -1.512019918e+00 3.72 -6.644546147e-01 -1.223036646e+00 -1.462054718e+00 3.74 -6.362435153e-01 -1.179655120e+00 -1.413316308e+00 3.76 -6.091425281e-01 -1.137522516e+00 -1.366277044e+00 3.78 -5.831742213e-01 -1.096636489e+00 -1.320612064e+00 3.80 -5.583602622e-01 -1.056955526e+00 -1.275915328e+00 3.82 -5.346352575e-01 -1.018448623e+00 -1.232253032e+00 3.84 -5.118053440e-01 -9.810840275e-01 -1.189710664e+00 3.86 -4.897143367e-01 -9.448258471e-01 -1.148352102e+00 3.88 -4.682460400e-01 -9.096507234e-01 -1.108175554e+00 3.90 -4.473161735e-01 -8.755429094e-01 -1.069141374e+00 3.92 -4.268656737e-01 -8.424877249e-01 -1.031221725e+00 3.94 -4.068551623e-01 -8.104705286e-01 -9.943909924e-01 3.96 -3.872603994e-01 -7.794243757e-01 -9.586159727e-01 3.98 -3.680685675e-01 -7.492772135e-01 -9.238719926e-01 4.00 -3.492721015e-01 -7.200292477e-01 -8.901455442e-01 4.02 -3.308444772e-01 -6.917109733e-01 -8.574241291e-01 4.04 -3.127738326e-01 -6.643420029e-01 -8.256952961e-01 4.06 -2.951191570e-01 -6.379327711e-01 -7.949346222e-01 4.08 -2.779597724e-01 -6.124860121e-01 -7.650483902e-01 4.10 -2.613539942e-01 -5.880020791e-01 -7.360042414e-01 4.12 -2.453428608e-01 -5.645440391e-01 -7.078360175e-01 4.14 -2.299532760e-01 -5.420737998e-01 -6.805672594e-01 4.16 -2.152006504e-01 -5.204296145e-01 -6.542123841e-01 4.18 -2.010911179e-01 -4.994719083e-01 -6.287780839e-01 4.20 -1.876233898e-01 -4.790938524e-01 -6.042645465e-01 4.22 -1.747903030e-01 -4.592152880e-01 -5.806809663e-01 4.24 -1.625801070e-01 -4.397776050e-01 -5.581052860e-01 4.26 -1.509775326e-01 -4.207394416e-01 -5.364250139e-01 4.28 -1.399646738e-01 -4.020730857e-01 -5.154876339e-01 4.30 -1.295217136e-01 -3.837614786e-01 -4.951745121e-01 4.32 -1.196168023e-01 -3.657957306e-01 -4.753948716e-01 4.34 -1.110824115e-01 -3.481730748e-01 -4.560806789e-01 4.36 -1.034605050e-01 -3.308701250e-01 -4.371823171e-01 4.38 -9.624106202e-02 -3.138490766e-01 -4.186649388e-01 4.40 -8.940565958e-02 -2.971831713e-01 -4.005054034e-01 4.42 -8.293621151e-02 -2.809401698e-01 -3.826897177e-01 4.44 -7.681506406e-02 -2.651713054e-01 -3.652109070e-01 4.46 -7.102506821e-02 -2.499140105e-01 -3.480672537e-01 4.48 -6.554963230e-02 -2.351942427e-01 -3.312338311e-01 4.50 -6.037275874e-02 -2.210284681e-01 -3.146767937e-01 4.52 -5.547906751e-02 -2.074253478e-01 -2.984687164e-01 4.54 -5.085380911e-02 -1.943871686e-01 -2.826714931e-01 4.56 -4.648286882e-02 -1.819110561e-01 -2.673320727e-01 4.58 -4.235276423e-02 -1.699932560e-01 -2.524848769e-01 4.60 -3.845063727e-02 -1.593041893e-01 -2.381538720e-01 4.62 -3.476424205e-02 -1.497737407e-01 -2.243543406e-01 4.64 -3.128192948e-02 -1.406846291e-01 -2.110943947e-01 4.66 -2.799262956e-02 -1.320228495e-01 -1.983762648e-01 4.68 -2.488583184e-02 -1.237737731e-01 -1.861973961e-01 4.70 -2.195156484e-02 -1.159223761e-01 -1.745513774e-01 4.72 -1.918037458e-02 -1.084534292e-01 -1.634287284e-01 4.74 -1.654825002e-02 -1.013516536e-01 -1.528175620e-01 4.76 -1.545106653e-02 -9.460184780e-02 -1.427041426e-01 4.78 -1.442473092e-02 -8.818899031e-02 -1.330733526e-01 4.80 -1.344853158e-02 -8.209832182e-02 -1.239090822e-01 4.82 -1.252012831e-02 -7.631540967e-02 -1.151945532e-01 4.84 -1.163728316e-02 -7.082619764e-02 -1.069125862e-01 4.86 -1.079785645e-02 -6.561704345e-02 -9.904581953e-02 4.88 -9.999802962e-03 -6.067474587e-02 -9.157688870e-02 4.90 -9.241168190e-03 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-5.536106922e-04 -3.277560604e-03 -4.919155440e-03 5.28 -2.696929290e-04 -1.595113344e-03 -2.393344432e-03 5.30 -5.250829962e-16 -2.496480505e-15 -2.911953069e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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