# 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 = PtW3 # 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 5.919920714e+02 nan nan 1.16 5.460545890e+02 nan nan 1.18 5.038336137e+02 nan nan 1.20 4.649508805e+02 nan nan 1.22 4.290733298e+02 nan nan 1.24 3.959147123e+02 nan nan 1.26 3.652347241e+02 nan nan 1.28 3.368369581e+02 5.151334216e+02 5.881062308e+02 1.30 3.105618718e+02 4.781791943e+02 5.466560619e+02 1.32 2.862720740e+02 4.438682873e+02 5.082103982e+02 1.34 2.638358264e+02 4.120082350e+02 4.725486705e+02 1.36 2.431178340e+02 3.824363717e+02 4.394639900e+02 1.38 2.239798625e+02 3.550034395e+02 4.087580002e+02 1.40 2.062864695e+02 3.295614273e+02 3.802424168e+02 1.42 1.899105077e+02 3.059598241e+02 3.537412288e+02 1.44 1.747367268e+02 2.840489812e+02 3.290904985e+02 1.46 1.606641598e+02 2.636865778e+02 3.061379173e+02 1.48 1.476072970e+02 2.447430077e+02 2.847446591e+02 1.50 1.354947996e+02 2.271033264e+02 2.647886698e+02 1.52 1.242655404e+02 2.106660870e+02 2.461665003e+02 1.54 1.138637820e+02 1.953409148e+02 2.287916106e+02 1.56 1.042355311e+02 1.810463322e+02 2.125891385e+02 1.58 9.532695227e+01 1.677081092e+02 1.974892079e+02 1.60 8.708467998e+01 1.552577894e+02 1.834218206e+02 1.62 7.945719699e+01 1.436313874e+02 1.703152285e+02 1.64 7.239623287e+01 1.327686954e+02 1.580973886e+02 1.66 6.585747749e+01 1.226134938e+02 1.466987204e+02 1.68 5.980051392e+01 1.131144187e+02 1.360544784e+02 1.70 5.418827614e+01 1.042258496e+02 1.261059448e+02 1.72 4.898632533e+01 9.590818891e+01 1.168005106e+02 1.74 4.416206811e+01 8.812720903e+01 1.080910867e+02 1.76 3.968404019e+01 8.085269622e+01 9.993523945e+01 1.78 3.552178471e+01 7.405705635e+01 9.229427540e+01 1.80 3.164763683e+01 6.771439793e+01 8.513239058e+01 1.82 2.803374654e+01 6.180004490e+01 7.841597790e+01 1.84 2.467024614e+01 5.629013825e+01 7.211323776e+01 1.86 2.158521341e+01 5.116116899e+01 6.619421384e+01 1.88 1.875757544e+01 4.638957773e+01 6.063119189e+01 1.90 1.616585718e+01 4.195163071e+01 5.539919860e+01 1.92 1.379199916e+01 3.782364333e+01 5.047633087e+01 1.94 1.162040815e+01 3.398284131e+01 4.584380443e+01 1.96 9.637032986e+00 3.040855619e+01 4.148573666e+01 1.98 7.828662817e+00 2.708081702e+01 3.738868949e+01 2.00 6.182538858e+00 2.401467687e+01 3.354152979e+01 2.02 4.686248043e+00 2.120660610e+01 2.993505038e+01 2.04 3.327787499e+00 1.863371008e+01 2.656038802e+01 2.06 2.095680077e+00 1.627537961e+01 2.345264854e+01 2.08 9.790656457e-01 1.411282753e+01 2.061223558e+01 2.10 -3.224747686e-02 1.212876444e+01 1.801603408e+01 2.12 -9.477465408e-01 1.030721489e+01 1.564217926e+01 2.14 -1.776166725e+00 8.633459311e+00 1.347052107e+01 2.16 -2.525433413e+00 7.094070493e+00 1.148282588e+01 2.18 -3.202626585e+00 5.676991880e+00 9.662782645e+00 2.20 -3.814001576e+00 4.371592393e+00 7.995899636e+00 2.22 -4.365072005e+00 3.168645631e+00 6.469349330e+00 2.24 -4.860728745e+00 2.060217051e+00 5.071782584e+00 2.26 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2.62 -7.742624144e+00 -7.378975247e+00 -6.643171372e+00 2.64 -7.674032512e+00 -7.502403639e+00 -6.828197526e+00 2.66 -7.587766006e+00 -7.604639244e+00 -6.991326247e+00 2.68 -7.483979283e+00 -7.686948592e+00 -7.134006613e+00 2.70 -7.363067603e+00 -7.750548982e+00 -7.257502536e+00 2.72 -7.225679572e+00 -7.796571368e+00 -7.362981466e+00 2.74 -7.072732078e+00 -7.826093520e+00 -7.451930498e+00 2.76 -6.905422117e+00 -7.840159953e+00 -7.525814487e+00 2.78 -6.725228616e+00 -7.840768442e+00 -7.586063958e+00 2.80 -6.533895748e+00 -7.829046615e+00 -7.634062457e+00 2.82 -6.333389686e+00 -7.804869516e+00 -7.671116790e+00 2.84 -6.125825039e+00 -7.768164702e+00 -7.698629298e+00 2.86 -5.913364960e+00 -7.718814596e+00 -7.718665102e+00 2.88 -5.698107307e+00 -7.656824225e+00 -7.731625936e+00 2.90 -5.481974621e+00 -7.582351982e+00 -7.737132505e+00 2.92 -5.266625889e+00 -7.495716999e+00 -7.734767815e+00 2.94 -5.053403279e+00 -7.397406708e+00 -7.724117895e+00 2.96 -4.843319207e+00 -7.288077424e+00 -7.704764027e+00 2.98 -4.637081131e+00 -7.168541411e+00 -7.676282891e+00 3.00 -4.435144988e+00 -7.039736653e+00 -7.638251546e+00 3.02 -4.237784667e+00 -6.902679923e+00 -7.590255360e+00 3.04 -4.045164187e+00 -6.758408470e+00 -7.531897584e+00 3.06 -3.857400980e+00 -6.607918967e+00 -7.462809691e+00 3.08 -3.674847849e+00 -6.452113038e+00 -7.382661629e+00 3.10 -3.498883584e+00 -6.291756858e+00 -7.291171129e+00 3.12 -3.330825248e+00 -6.127458727e+00 -7.188111354e+00 3.14 -3.171511203e+00 -5.959664949e+00 -7.073316447e+00 3.16 -3.021305720e+00 -5.788671515e+00 -6.946685107e+00 3.18 -2.880140756e+00 -5.614647743e+00 -6.808182870e+00 3.20 -2.747590735e+00 -5.437667701e+00 -6.657844371e+00 3.22 -2.622969054e+00 -5.257745843e+00 -6.495777220e+00 3.24 -2.505431928e+00 -5.074874170e+00 -6.322169199e+00 3.26 -2.394076152e+00 -4.889059052e+00 -6.137300226e+00 3.28 -2.288021040e+00 -4.700356490e+00 -5.941559853e+00 3.30 -2.186469594e+00 -4.508904774e+00 -5.735470102e+00 3.32 -2.088748160e+00 -4.314953434e+00 -5.519712172e+00 3.34 -1.994326808e+00 -4.118927626e+00 -5.295154205e+00 3.36 -1.902824095e+00 -3.921776440e+00 -5.062875998e+00 3.38 -1.814000130e+00 -3.724744476e+00 -4.824185632e+00 3.40 -1.727741459e+00 -3.529129804e+00 -4.580622705e+00 3.42 -1.644040577e+00 -3.336259651e+00 -4.333943554e+00 3.44 -1.562972315e+00 -3.147454449e+00 -4.086090018e+00 3.46 -1.484668799e+00 -2.963982598e+00 -3.839575523e+00 3.48 -1.409294610e+00 -2.787011790e+00 -3.597631200e+00 3.50 -1.337023462e+00 -2.617563041e+00 -3.363172397e+00 3.52 -1.268017670e+00 -2.456472902e+00 -3.138605320e+00 3.54 -1.202411433e+00 -2.304367908e+00 -2.925778949e+00 3.56 -1.140298625e+00 -2.161653368e+00 -2.725978762e+00 3.58 -1.081725373e+00 -2.028516460e+00 -2.539957725e+00 3.60 -1.026687274e+00 -1.904941855e+00 -2.367995622e+00 3.62 -9.751306673e-01 -1.790736835e+00 -2.209975859e+00 3.64 -9.269571483e-01 -1.685562308e+00 -2.065469298e+00 3.66 -8.820303244e-01 -1.588966253e+00 -1.933816587e+00 3.68 -8.401837985e-01 -1.500416602e+00 -1.814203031e+00 3.70 -8.012294925e-01 -1.419331375e+00 -1.705722554e+00 3.72 -7.649661933e-01 -1.345104688e+00 -1.607429435e+00 3.74 -7.311857366e-01 -1.277127986e+00 -1.518378033e+00 3.76 -6.996784323e-01 -1.214806453e+00 -1.437651637e+00 3.78 -6.702391704e-01 -1.157570915e+00 -1.364382086e+00 3.80 -6.426706714e-01 -1.104885826e+00 -1.297761923e+00 3.82 -6.167856956e-01 -1.056254007e+00 -1.237050775e+00 3.84 -5.924083420e-01 -1.011218842e+00 -1.181577460e+00 3.86 -5.693745888e-01 -9.693645653e-01 -1.130739050e+00 3.88 -5.475322415e-01 -9.303152253e-01 -1.083997908e+00 3.90 -5.267404490e-01 -8.937327981e-01 -1.040877452e+00 3.92 -5.068689340e-01 -8.593148388e-01 -1.000957229e+00 3.94 -4.877970638e-01 -8.267919903e-01 -9.638677004e-01 3.96 -4.694128674e-01 -7.959255546e-01 -9.292850257e-01 3.98 -4.516120971e-01 -7.665053262e-01 -8.969260394e-01 4.00 -4.342974091e-01 -7.383477650e-01 -8.665435232e-01 4.02 -4.173777392e-01 -7.112945621e-01 -8.379218457e-01 4.04 -4.007679372e-01 -6.852116103e-01 -8.108729930e-01 4.06 -3.843887213e-01 -6.599882487e-01 -7.852329921e-01 4.08 -3.681670052e-01 -6.355366825e-01 -7.608587154e-01 4.10 -3.520366415e-01 -6.117916451e-01 -7.376250616e-01 4.12 -3.359396030e-01 -5.887095265e-01 -7.154224320e-01 4.14 -3.198275948e-01 -5.662655775e-01 -6.941545267e-01 4.16 -3.036640447e-01 -5.444532403e-01 -6.737369567e-01 4.18 -2.874263574e-01 -5.232811348e-01 -6.540945271e-01 4.20 -2.711082467e-01 -5.027691784e-01 -6.351595834e-01 4.22 -2.547218809e-01 -4.829440997e-01 -6.168716863e-01 4.24 -2.382995081e-01 -4.638346573e-01 -5.991763231e-01 4.26 -2.218941901e-01 -4.454669811e-01 -5.820238264e-01 4.28 -2.055792866e-01 -4.278604825e-01 -5.653684554e-01 4.30 -1.894464153e-01 -4.110247148e-01 -5.491676079e-01 4.32 -1.736017754e-01 -3.949574205e-01 -5.333811409e-01 4.34 -1.581609473e-01 -3.796438267e-01 -5.179707840e-01 4.36 -1.432425293e-01 -3.650570739e-01 -5.028996347e-01 4.38 -1.289612111e-01 -3.511595381e-01 -4.881317293e-01 4.40 -1.154209744e-01 -3.379047389e-01 -4.736316881e-01 4.42 -1.027092035e-01 -3.252395289e-01 -4.593644351e-01 4.44 -9.089227999e-02 -3.131063028e-01 -4.452949984e-01 4.46 -8.001305506e-02 -3.014450413e-01 -4.313883983e-01 4.48 -7.009029272e-02 -2.901950809e-01 -4.176096376e-01 4.50 -6.111990830e-02 -2.792965775e-01 -4.039238070e-01 4.52 -5.307762385e-02 -2.686916689e-01 -3.902963202e-01 4.54 -4.592255711e-02 -2.583251723e-01 -3.766933287e-01 4.56 -3.960123816e-02 -2.481459523e-01 -3.630822551e-01 4.58 -3.405163517e-02 -2.381072795e-01 -3.494325717e-01 4.60 -2.920685107e-02 -2.281672919e-01 -3.357167463e-01 4.62 -2.499807143e-02 -2.182896932e-01 -3.219113914e-01 4.64 -2.135696666e-02 -2.084444740e-01 -3.079985876e-01 4.66 -1.821908050e-02 -1.986086653e-01 -2.939673401e-01 4.68 -1.552376579e-02 -1.887671085e-01 -2.798150954e-01 4.70 -1.321499374e-02 -1.789131914e-01 -2.655492160e-01 4.72 -1.124185770e-02 -1.690494739e-01 -2.511882763e-01 4.74 -9.558724803e-03 -1.591881046e-01 -2.367630215e-01 4.76 -8.125137673e-03 -1.493509175e-01 -2.223168175e-01 4.78 -6.905550190e-03 -1.395691047e-01 -2.079054311e-01 4.80 -5.868962843e-03 -1.298823795e-01 -1.935960160e-01 4.82 -4.988506557e-03 -1.203375949e-01 -1.794652461e-01 4.84 -4.241009753e-03 -1.109868285e-01 -1.655966287e-01 4.86 -3.606572371e-03 -1.018850325e-01 -1.520771306e-01 4.88 -3.068162069e-03 -9.308739509e-02 -1.389933550e-01 4.90 -2.611241356e-03 -8.464662278e-02 -1.264275771e-01 4.92 -2.223429897e-03 -7.661037102e-02 -1.144539860e-01 4.94 -1.894203292e-03 -6.901904207e-02 -1.031354619e-01 4.96 -1.614627473e-03 -6.190412642e-02 -9.252115720e-02 4.98 -1.377126624e-03 -5.528719641e-02 -8.264504382e-02 5.00 -1.175281896e-03 -4.917958217e-02 -7.352547582e-02 5.02 -1.003657869e-03 -4.358268434e-02 -6.516569903e-02 5.04 -8.576536375e-04 -3.848881807e-02 -5.755515115e-02 5.06 -7.333755029e-04 -3.388244547e-02 -5.067133918e-02 5.08 -6.275284901e-04 -2.974164084e-02 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-2.286274751e-03 -3.420459325e-03 5.46 -3.696523560e-05 -1.978248394e-03 -2.959609519e-03 5.48 -3.205768233e-05 -1.712311443e-03 -2.561731613e-03 5.50 -2.781899778e-05 -1.482689062e-03 -2.218186030e-03 5.52 -2.415566253e-05 -1.284388352e-03 -1.921502850e-03 5.54 -2.098755932e-05 -1.113097309e-03 -1.665230537e-03 5.56 -1.824600645e-05 -9.650952860e-04 -1.443802810e-03 5.58 -1.587208635e-05 -8.371740970e-04 -1.252419441e-03 5.60 -1.381522398e-05 -7.265688663e-04 -1.086943653e-03 5.62 -1.203197688e-05 -6.308976421e-04 -9.438115758e-04 5.64 -1.048500484e-05 -5.481088490e-04 -8.199536371e-04 5.66 -9.142191898e-06 -4.764356841e-04 -7.127263379e-04 5.68 -7.975897536e-06 -4.143566303e-04 -6.198531770e-04 5.70 -6.962317753e-06 -3.605613282e-04 -5.393735916e-04 5.72 -6.080939551e-06 -3.139211250e-04 -4.695988937e-04 5.74 -5.314074776e-06 -2.734636899e-04 -4.090742896e-04 5.76 -4.646461550e-06 -2.383511563e-04 -3.565461756e-04 5.78 -4.064923292e-06 -2.078613137e-04 -3.109339978e-04 5.80 -3.558076816e-06 -1.813714357e-04 -2.713060532e-04 5.82 -3.116082228e-06 -1.583443774e-04 -2.368586890e-04 5.84 -2.730428546e-06 -1.383166296e-04 -2.068984279e-04 5.86 -2.393749835e-06 -1.208880544e-04 -1.808266101e-04 5.88 -2.099667362e-06 -1.057130674e-04 -1.581261993e-04 5.90 -1.842654037e-06 -9.249306129e-05 -1.383504466e-04 5.92 -1.617917919e-06 -8.096989673e-05 -1.211131507e-04 5.94 -1.421302045e-06 -7.092030784e-05 -1.060802876e-04 5.96 -1.249198214e-06 -6.215109398e-05 -9.296281571e-05 5.98 -1.098472778e-06 -5.449498557e-05 -8.151049068e-05 6.00 -9.664026978e-07 -4.780708851e-05 -7.150654502e-05