# 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 = Co3Zr # 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 2.129731974e+02 nan nan 1.16 1.946298486e+02 nan nan 1.18 1.778536073e+02 nan nan 1.20 1.625023579e+02 nan nan 1.22 1.484478098e+02 nan nan 1.24 1.355739870e+02 nan nan 1.26 1.237755901e+02 nan nan 1.28 1.129566186e+02 1.821029238e+02 2.113015408e+02 1.30 1.030305119e+02 1.675741867e+02 1.949341099e+02 1.32 9.392049407e+01 1.541798493e+02 1.798194236e+02 1.34 8.555829966e+01 1.418249552e+02 1.658559123e+02 1.36 7.788209535e+01 1.304235125e+02 1.529517196e+02 1.38 7.083518336e+01 1.198982546e+02 1.410227586e+02 1.40 6.436563472e+01 1.101797751e+02 1.299917505e+02 1.42 5.842584078e+01 1.012050347e+02 1.197881792e+02 1.44 5.297169594e+01 9.291569983e+01 1.103477773e+02 1.46 4.796196465e+01 8.525733813e+01 1.016113825e+02 1.48 4.335843357e+01 7.817974329e+01 9.352411185e+01 1.50 3.912644519e+01 7.163731757e+01 8.603525418e+01 1.52 3.523503902e+01 6.558866316e+01 7.909829328e+01 1.54 3.165660861e+01 5.999573688e+01 7.267069821e+01 1.56 2.836636737e+01 5.482340707e+01 6.671362042e+01 1.58 2.534183280e+01 5.003948000e+01 6.119154735e+01 1.60 2.256259734e+01 4.561464595e+01 5.607202961e+01 1.62 2.001005479e+01 4.152206333e+01 5.132543064e+01 1.64 1.766624767e+01 3.773679868e+01 4.692452945e+01 1.66 1.551628041e+01 3.423544854e+01 4.284414684e+01 1.68 1.354611970e+01 3.099610827e+01 3.906100337e+01 1.70 1.174173155e+01 2.799859831e+01 3.555367058e+01 1.72 1.009019656e+01 2.522454652e+01 3.230242336e+01 1.74 8.579461498e+00 2.265732448e+01 2.928890481e+01 1.76 7.198206543e+00 2.028213499e+01 2.649587492e+01 1.78 5.935862328e+00 1.808487447e+01 2.390715428e+01 1.80 4.782679906e+00 1.605309026e+01 2.150804626e+01 1.82 3.729706945e+00 1.417665280e+01 1.928518990e+01 1.84 2.768739452e+00 1.244465782e+01 1.722589822e+01 1.86 1.892236068e+00 1.084686183e+01 1.531978661e+01 1.88 1.093281430e+00 9.373771719e+00 1.355644069e+01 1.90 3.655614678e-01 8.016587127e+00 1.192515814e+01 1.92 -2.966600650e-01 6.767116137e+00 1.041604181e+01 1.94 -8.985300061e-01 5.617679583e+00 9.020137054e+00 1.96 -1.444630826e+00 4.561022572e+00 7.729397200e+00 1.98 -1.939035785e+00 3.590304217e+00 6.536536087e+00 2.00 -2.385404037e+00 2.699134660e+00 5.434850626e+00 2.02 -2.787088568e+00 1.881610569e+00 4.418091995e+00 2.04 -3.147234034e+00 1.132316552e+00 3.480425289e+00 2.06 -3.468831612e+00 4.462770745e-01 2.616431479e+00 2.08 -3.754768711e+00 -1.811255489e-01 1.821131289e+00 2.10 -4.007844254e+00 -7.542213020e-01 1.089955247e+00 2.12 -4.230762724e+00 -1.277088838e+00 4.186964409e-01 2.14 -4.426109914e+00 -1.753558434e+00 -1.965515964e-01 2.16 -4.596320944e+00 -2.187183850e+00 -7.594595717e-01 2.18 -4.743665562e+00 -2.581223861e+00 -1.273525242e+00 2.20 -4.870224198e+00 -2.938637262e+00 -1.742146936e+00 2.22 -4.977896994e+00 -3.262115443e+00 -2.168624548e+00 2.24 -5.068440646e+00 -3.554120049e+00 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-5.377513396e+00 -5.384409836e+00 2.62 -4.870255434e+00 -5.367385757e+00 -5.405317504e+00 2.64 -4.800678978e+00 -5.351290767e+00 -5.418022427e+00 2.66 -4.727835445e+00 -5.329717513e+00 -5.423053592e+00 2.68 -4.652042006e+00 -5.303043273e+00 -5.420857427e+00 2.70 -4.573656865e+00 -5.271658620e+00 -5.411716020e+00 2.72 -4.493059660e+00 -5.235819024e+00 -5.395909190e+00 2.74 -4.410637540e+00 -5.195745705e+00 -5.373751883e+00 2.76 -4.326775214e+00 -5.151676878e+00 -5.345698805e+00 2.78 -4.241842984e+00 -5.103864338e+00 -5.312085718e+00 2.80 -4.156190070e+00 -5.052576868e+00 -5.273238766e+00 2.82 -4.070119584e+00 -4.998062583e+00 -5.229558677e+00 2.84 -3.983885919e+00 -4.940523864e+00 -5.181515897e+00 2.86 -3.897690154e+00 -4.880158152e+00 -5.129631736e+00 2.88 -3.811685645e+00 -4.817112107e+00 -5.074448436e+00 2.90 -3.725988670e+00 -4.751484514e+00 -5.016492374e+00 2.92 -3.640686844e+00 -4.683396226e+00 -4.956232399e+00 2.94 -3.555863524e+00 -4.612992618e+00 -4.893961596e+00 2.96 -3.471581884e+00 -4.540443516e+00 -4.829829164e+00 2.98 -3.387905835e+00 -4.465943458e+00 -4.763958497e+00 3.00 -3.304897981e+00 -4.389710952e+00 -4.696431785e+00 3.02 -3.222621067e+00 -4.311985238e+00 -4.627322625e+00 3.04 -3.141139043e+00 -4.233017250e+00 -4.556703766e+00 3.06 -3.060518049e+00 -4.153068566e+00 -4.484657442e+00 3.08 -2.980827305e+00 -4.072384093e+00 -4.411282329e+00 3.10 -2.902139647e+00 -3.991191250e+00 -4.336697371e+00 3.12 -2.824531278e+00 -3.909687027e+00 -4.261042863e+00 3.14 -2.748080283e+00 -3.828044762e+00 -4.184478917e+00 3.16 -2.672863613e+00 -3.746401838e+00 -4.107181257e+00 3.18 -2.598952633e+00 -3.664876390e+00 -4.029334494e+00 3.20 -2.526407861e+00 -3.583572151e+00 -3.951122307e+00 3.22 -2.455273982e+00 -3.502586275e+00 -3.872724068e+00 3.24 -2.385576361e+00 -3.422016294e+00 -3.794298466e+00 3.26 -2.317319912e+00 -3.341965506e+00 -3.715984944e+00 3.28 -2.250490582e+00 -3.262546049e+00 -3.637900445e+00 3.30 -2.185059007e+00 -3.183878918e+00 -3.560140755e+00 3.32 -2.120985519e+00 -3.106090609e+00 -3.482783809e+00 3.34 -2.058225597e+00 -3.029306875e+00 -3.405893876e+00 3.36 -1.996735015e+00 -2.953645037e+00 -3.329525813e+00 3.38 -1.936474230e+00 -2.879206758e+00 -3.253728919e+00 3.40 -1.877411783e+00 -2.806071862e+00 -3.178550225e+00 3.42 -1.819522921e+00 -2.734301130e+00 -3.104037165e+00 3.44 -1.762806605e+00 -2.663929560e+00 -3.030239593e+00 3.46 -1.707260707e+00 -2.594974723e+00 -2.957211022e+00 3.48 -1.652898940e+00 -2.527439096e+00 -2.885008920e+00 3.50 -1.599744079e+00 -2.461313793e+00 -2.813690645e+00 3.52 -1.547825047e+00 -2.396581633e+00 -2.743325852e+00 3.54 -1.497173404e+00 -2.333219346e+00 -2.673971978e+00 3.56 -1.447819813e+00 -2.271198993e+00 -2.605687929e+00 3.58 -1.399791059e+00 -2.210488809e+00 -2.538528263e+00 3.60 -1.353108012e+00 -2.151053753e+00 -2.472542471e+00 3.62 -1.307784584e+00 -2.092855985e+00 -2.407774944e+00 3.64 -1.263827354e+00 -2.035855493e+00 -2.344265065e+00 3.66 -1.221235396e+00 -1.980010993e+00 -2.282046868e+00 3.68 -1.179999951e+00 -1.925281174e+00 -2.221147920e+00 3.70 -1.140103866e+00 -1.871626288e+00 -2.161587622e+00 3.72 -1.101521037e+00 -1.819010029e+00 -2.103375502e+00 3.74 -1.064216218e+00 -1.767401574e+00 -2.046510225e+00 3.76 -1.028145508e+00 -1.716777587e+00 -1.990979814e+00 3.78 -9.932576238e-01 -1.667123971e+00 -1.936763179e+00 3.80 -9.594958264e-01 -1.618437066e+00 -1.883832614e+00 3.82 -9.268002598e-01 -1.570724013e+00 -1.832156704e+00 3.84 -8.951104061e-01 -1.524002035e+00 -1.781703045e+00 3.86 -8.643674523e-01 -1.478296504e+00 -1.732440381e+00 3.88 -8.345164497e-01 -1.433637851e+00 -1.684339961e+00 3.90 -8.055082282e-01 -1.390057618e+00 -1.637376133e+00 3.92 -7.772995377e-01 -1.347582851e+00 -1.591523525e+00 3.94 -7.498607837e-01 -1.306237778e+00 -1.546768415e+00 3.96 -7.231669203e-01 -1.266031915e+00 -1.503089451e+00 3.98 -6.972050009e-01 -1.226964679e+00 -1.460470128e+00 4.00 -6.719719469e-01 -1.189023520e+00 -1.418894622e+00 4.02 -6.474732997e-01 -1.152185013e+00 -1.378347243e+00 4.04 -6.237209896e-01 -1.116416885e+00 -1.338812007e+00 4.06 -6.007302471e-01 -1.081680552e+00 -1.300272342e+00 4.08 -5.785159872e-01 -1.047933783e+00 -1.262710887e+00 4.10 -5.570891713e-01 -1.015129444e+00 -1.226109397e+00 4.12 -5.364537030e-01 -9.832336620e-01 -1.190448713e+00 4.14 -5.166043309e-01 -9.522026593e-01 -1.155708781e+00 4.16 -4.975258238e-01 -9.220020165e-01 -1.121868727e+00 4.18 -4.791934288e-01 -8.926032040e-01 -1.088906961e+00 4.20 -4.615743973e-01 -8.639844366e-01 -1.056801310e+00 4.22 -4.446302275e-01 -8.361310841e-01 -1.025529194e+00 4.24 -4.283192441e-01 -8.090355536e-01 -9.950678252e-01 4.26 -4.125991850e-01 -7.826965702e-01 -9.653944570e-01 4.28 -3.974295556e-01 -7.571178379e-01 -9.364866615e-01 4.30 -3.827736043e-01 -7.323061453e-01 -9.083226499e-01 4.32 -3.685998404e-01 -7.082690959e-01 -8.808816170e-01 4.34 -3.548830526e-01 -6.850127300e-01 -8.541440924e-01 4.36 -3.416028146e-01 -6.625393498e-01 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-3.665330933e-01 -4.616437671e-01 4.74 -1.669989282e-01 -3.541600168e-01 -4.458393901e-01 4.76 -1.611081820e-01 -3.420414031e-01 -4.303481062e-01 4.78 -1.554189612e-01 -3.301631574e-01 -4.151504537e-01 4.80 -1.499172548e-01 -3.185116995e-01 -4.002320364e-01 4.82 -1.445911792e-01 -3.070875205e-01 -3.855843893e-01 4.84 -1.394309658e-01 -2.958849458e-01 -3.712056737e-01 4.86 -1.344288994e-01 -2.849067570e-01 -3.571011112e-01 4.88 -1.295792004e-01 -2.741603950e-01 -3.432830547e-01 4.90 -1.248778447e-01 -2.636576750e-01 -3.297706054e-01 4.92 -1.203223152e-01 -2.534141671e-01 -3.165887126e-01 4.94 -1.159112854e-01 -2.434482350e-01 -3.037667496e-01 4.96 -1.116442462e-01 -2.337797731e-01 -2.913366290e-01 4.98 -1.075210962e-01 -2.244287334e-01 -2.793305984e-01 5.00 -1.035417258e-01 -2.154135805e-01 -2.677789201e-01 5.02 -9.970563049e-02 -2.067498333e-01 -2.567076744e-01 5.04 -9.601158529e-02 -1.984488477e-01 -2.461369194e-01 5.06 -9.245740812e-02 -1.905169640e-01 -2.360793887e-01 5.08 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-1.250673243e-01 5.44 -4.316061085e-02 -9.322816828e-02 -1.213287628e-01 5.46 -4.103268124e-02 -8.984445030e-02 -1.177277428e-01 5.48 -3.891688072e-02 -8.657561014e-02 -1.142545921e-01 5.50 -3.681295785e-02 -8.342105933e-02 -1.109006817e-01 5.52 -3.472202901e-02 -8.038058367e-02 -1.076582849e-01 5.54 -3.264665235e-02 -7.745401498e-02 -1.045188286e-01 5.56 -3.059085275e-02 -7.464094013e-02 -1.014795100e-01 5.58 -2.856008128e-02 -7.194046566e-02 -9.853270075e-02 5.60 -2.656109669e-02 -6.935099092e-02 -9.567315403e-02 5.62 -2.460176193e-02 -6.687016604e-02 -9.289601946e-02 5.64 -2.269075757e-02 -6.449501748e-02 -9.019677640e-02 5.66 -2.083722298e-02 -6.222181790e-02 -8.757117605e-02 5.68 -1.905034650e-02 -6.004617162e-02 -8.501519120e-02 5.70 -1.733882626e-02 -5.796313581e-02 -8.252497281e-02 5.72 -1.571048581e-02 -5.596735670e-02 -8.009681265e-02 5.74 -1.417228103e-02 -5.405320722e-02 -7.772711127e-02 5.76 -1.272968111e-02 -5.221491554e-02 -7.541235087e-02 5.78 -1.138645819e-02 -5.044667748e-02 -7.314907267e-02 5.80 -1.014460057e-02 -4.874274933e-02 -7.093385874e-02 5.82 -9.004333703e-03 -4.709752023e-02 -6.876331802e-02 5.84 -7.964236113e-03 -4.550556529e-02 -6.663407692e-02 5.86 -7.021429802e-03 -4.396168220e-02 -6.454277452e-02 5.88 -6.171820738e-03 -4.246091465e-02 -6.248606305e-02 5.90 -5.410364706e-03 -4.099856611e-02 -6.046061391e-02 5.92 -4.731336249e-03 -3.957020768e-02 -5.846313019e-02 5.94 -4.128582915e-03 -3.817168321e-02 -5.649036618e-02 5.96 -3.595752204e-03 -3.679911456e-02 -5.453915481e-02 5.98 -3.126483721e-03 -3.544890948e-02 -5.260644374e-02 6.00 -2.714563601e-03 -3.411777403e-02 -5.068934070e-02